5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine

C199H202Cl4N36O8S6 — CID 159917447

IUPAC5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
SMILESCOc1ccc(C)c(CNc2ccccc2)c1.Cc1cc(Cl)sc1C.Cc1cc2cnccc2cc1C(N)=O.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc(-c2n[nH]c(=O)[nH]2)s1.Cc1ccc(Cl)s1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2cccnc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1ccc2onc(N)c2c1.Cc1ccccc1-c1n[nH]c(=O)[nH]1.Cc1ccccc1C(N)=O.Cc1cn(C)cn1.Cc1cn[nH]c1.Cc1sc(Cl)cc1Cl
InChIInChI=1S/C15H17NO.C11H10N2O.C10H10N2.C10H9NS.2C10H9N.C9H9N3O.C9H10N2.C9H8N2.C9H9NO.C9H9N.C8H8N2O.4C8H8N2.C8H7NOS.C8H9NO.C7H7N3OS.C6H7ClS.C5H4Cl2S.C5H5ClS.C5H8N2.C4H6N2/c1-12-8-9-15(17-2)10-13(12)11-16-14-6-4-3-5-7-14;1-7-4-9-6-13-3-2-8(9)5-10(7)11(12)14;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-7-5-11-9(10)8(7)4-6;1-7-2-3-8-9(6-7)11-5-4-10-8;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8(11-6)7-4-5-10-9-7;1-6-4-2-3-5-7(6)8(9)10;1-4-2-3-5(12-4)6-8-7(11)10-9-6;1-4-3-6(7)8-5(4)2;1-3-4(6)2-5(7)8-3;1-4-2-3-5(6)7-4;1-5-3-7(2)4-6-5;1-4-2-5-6-3-4/h3-10,16H,11H2,1-2H3;2-6H,1H3,(H2,12,14);2-6H,1H3,(H2,11,12);2-7H,1H3;2*2-7H,1H3;2-5H,1H3,(H2,10,11,12,13);2-4H,5H2,1H3,(H2,10,11);2-6H,1H3;2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-4H,1H3,(H2,9,10);4*2-5H,1H3,(H,9,10);2-5H,1H3;2-5H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9,10,11);3H,1-2H3;2H,1H3;2-3H,1H3;3-4H,1-2H3;2-3H,1H3,(H,5,6)
InChIKeyNXYSAECEEZQTOP-UHFFFAOYSA-N
MW3560.26 g/mol
LogP48.21
Rot. Bonds10

About 5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine

5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine (PubChem CID 159917447) has the molecular formula C199H202Cl4N36O8S6 and a molecular weight of 3560.26 g/mol. Its IUPAC name is 5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
PubChem CID159917447
Molecular FormulaC199H202Cl4N36O8S6
Molecular Weight3560.26 g/mol
Exact Mass3555.36
IUPAC Name5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
SMILESCOc1ccc(C)c(CNc2ccccc2)c1.Cc1cc(Cl)sc1C.Cc1cc2cnccc2cc1C(N)=O.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc(-c2n[nH]c(=O)[nH]2)s1.Cc1ccc(Cl)s1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2cccnc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1ccc2onc(N)c2c1.Cc1ccccc1-c1n[nH]c(=O)[nH]1.Cc1ccccc1C(N)=O.Cc1cn(C)cn1.Cc1cn[nH]c1.Cc1sc(Cl)cc1Cl
InChIInChI=1S/C15H17NO.C11H10N2O.C10H10N2.C10H9NS.2C10H9N.C9H9N3O.C9H10N2.C9H8N2.C9H9NO.C9H9N.C8H8N2O.4C8H8N2.C8H7NOS.C8H9NO.C7H7N3OS.C6H7ClS.C5H4Cl2S.C5H5ClS.C5H8N2.C4H6N2/c1-12-8-9-15(17-2)10-13(12)11-16-14-6-4-3-5-7-14;1-7-4-9-6-13-3-2-8(9)5-10(7)11(12)14;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-7-5-11-9(10)8(7)4-6;1-7-2-3-8-9(6-7)11-5-4-10-8;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8(11-6)7-4-5-10-9-7;1-6-4-2-3-5-7(6)8(9)10;1-4-2-3-5(12-4)6-8-7(11)10-9-6;1-4-3-6(7)8-5(4)2;1-3-4(6)2-5(7)8-3;1-4-2-3-5(6)7-4;1-5-3-7(2)4-6-5;1-4-2-5-6-3-4/h3-10,16H,11H2,1-2H3;2-6H,1H3,(H2,12,14);2-6H,1H3,(H2,11,12);2-7H,1H3;2*2-7H,1H3;2-5H,1H3,(H2,10,11,12,13);2-4H,5H2,1H3,(H2,10,11);2-6H,1H3;2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-4H,1H3,(H2,9,10);4*2-5H,1H3,(H,9,10);2-5H,1H3;2-5H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9,10,11);3H,1-2H3;2H,1H3;2-3H,1H3;3-4H,1-2H3;2-3H,1H3,(H,5,6)
InChIKeyNXYSAECEEZQTOP-UHFFFAOYSA-N
XLogP48.21
TPSA669.34 Ų
H-Bond Donors17
H-Bond Acceptors37
Rotatable Bonds10
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003560.26
LogP ≤ 548.21
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1037

Analyze 5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine with MolForge

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Related Compounds

1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(3-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;3-(1H-pyrrol-2-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158813377
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(3-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;3-(1H-imidazol-5-yl)pyridine;4-(1H-imidazol-5-yl)pyridine;2-methoxypyridine;3-methoxypyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1,6-naphthyridine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161894380
5-methyl-2H-benzotriazole;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157153973
2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methyl-1H-indol-7-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157201614
2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)oxymethanamine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157237907
CID 157242582
CID 157242582
tert-butylbenzene;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butylfuran;6-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-indazole);2-tert-butyl-1H-indene;5-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoline;4-tert-butyl-1,3-thiazole
CID 157282486
4-tert-butyl-1,2-benzoxazol-3-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylpyrido[3,2-d]pyrimidine;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 157323746
3-methyl-5H-cyclopenta[b]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;6-methyl-1H-indole;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;bis(6-methyl-1H-pyrrolo[3,4-c]pyridine);2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157361556
6-tert-butyl-1H-benzimidazol-2-amine;6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;6-tert-butyl-3-chloro-2H-indazole;2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[2,3-c]pyridine;2-tert-butylfuro[2,3-c]pyridin-5-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1-methylbenzimidazol-2-amine;6-tert-butyl-1-methylbenzimidazol-2-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;2-tert-butyl-3-methylthieno[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-amine;2-tert-butylthieno[2,3-c]pyridin-5-amine
CID 157415264
2,7-dimethylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;2-methyl-3H-inden-4-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157599626
2-chloro-6-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;7-methylnaphthalene-2-carboxamide;(7-methylnaphthalen-2-yl)methanamine;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157626372

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?
The IUPAC name of 5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine (CID 159917447) is 5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine.
What is the SMILES notation for 5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?
The canonical SMILES for 5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine is COc1ccc(C)c(CNc2ccccc2)c1.Cc1cc(Cl)sc1C.Cc1cc2cnccc2cc1C(N)=O.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc(-c2n[nH]c(=O)[nH]2)s1.Cc1ccc(Cl)s1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2cccnc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1ccc2onc(N)c2c1.Cc1ccccc1-c1n[nH]c(=O)[nH]1.Cc1ccccc1C(N)=O.Cc1cn(C)cn1.Cc1cn[nH]c1.Cc1sc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?
The InChIKey is NXYSAECEEZQTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C11H10N2O.C10H10N2.C10H9NS.2C10H9N.C9H9N3O.C9H10N2.C9H8N2.C9H9NO.C9H9N.C8H8N2O.4C8H8N2.C8H7NOS.C8H9NO.C7H7N3OS.C6H7ClS.C5H4Cl2S.C5H5ClS.C5H8N2.C4H6N2/c1-12-8-9-15(17-2)10-13(12)11-16-14-6-4-3-5-7-14;1-7-4-9-6-13-3-2-8(9)5-10(7)11(12)14;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-7-5-11-9(10)8(7)4-6;1-7-2-3-8-9(6-7)11-5-4-10-8;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8(11-6)7-4-5-10-9-7;1-6-4-2-3-5-7(6)8(9)10;1-4-2-3-5(12-4)6-8-7(11)10-9-6;1-4-3-6(7)8-5(4)2;1-3-4(6)2-5(7)8-3;1-4-2-3-5(6)7-4;1-5-3-7(2)4-6-5;1-4-2-5-6-3-4/h3-10,16H,11H2,1-2H3;2-6H,1H3,(H2,12,14);2-6H,1H3,(H2,11,12);2-7H,1H3;2*2-7H,1H3;2-5H,1H3,(H2,10,11,12,13);2-4H,5H2,1H3,(H2,10,11);2-6H,1H3;2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-4H,1H3,(H2,9,10);4*2-5H,1H3,(H,9,10);2-5H,1H3;2-5H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9,10,11);3H,1-2H3;2H,1H3;2-3H,1H3;3-4H,1-2H3;2-3H,1H3,(H,5,6).
What are the key properties of 5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?
5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine has a molecular weight of 3560.26 g/mol, XLogP of 48.21, 10 rotatable bonds, 17 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethylthiophene;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;4-methyl-1H-pyrazole;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 159917447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).