5-chloro-2,3-dimethylthiophene;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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

C194H198Cl5FN40O9S6 — CID 158815595

IUPAC5-chloro-2,3-dimethylthiophene;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1cc2cnccc2cc1C(N)=O.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(-c2n[nH]c(=O)[nH]2)s1.Cc1ccc(Cl)s1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.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.C10H9ClN2.C10H9FN2.C10H10N2.C10H9NS.2C9H9N3O.3C9H9N3.C9H10N2.C9H9NO.C9H9N.C8H8N2O.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;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;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;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-7-5-11-9(10)8(7)4-6;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(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*2-5H,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);2-7H,1H3;2*2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-4H,1H3,(H2,9,10);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)
InChIKeyIVFMPXWCZYLZPO-UHFFFAOYSA-N
MW3622.65 g/mol
LogP44.38
Rot. Bonds11

About 5-chloro-2,3-dimethylthiophene;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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 158815595) has the molecular formula C194H198Cl5FN40O9S6 and a molecular weight of 3622.65 g/mol. Its IUPAC name is 5-chloro-2,3-dimethylthiophene;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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 CID158815595
Molecular FormulaC194H198Cl5FN40O9S6
Molecular Weight3622.65 g/mol
Exact Mass3617.30
IUPAC Name5-chloro-2,3-dimethylthiophene;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1cc2cnccc2cc1C(N)=O.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(-c2n[nH]c(=O)[nH]2)s1.Cc1ccc(Cl)s1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.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.C10H9ClN2.C10H9FN2.C10H10N2.C10H9NS.2C9H9N3O.3C9H9N3.C9H10N2.C9H9NO.C9H9N.C8H8N2O.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;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;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;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-7-5-11-9(10)8(7)4-6;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(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*2-5H,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);2-7H,1H3;2*2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-4H,1H3,(H2,9,10);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)
InChIKeyIVFMPXWCZYLZPO-UHFFFAOYSA-N
XLogP44.38
TPSA797.82 Ų
H-Bond Donors20
H-Bond Acceptors44
Rotatable Bonds11
Heavy Atoms255
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003622.65
LogP ≤ 544.38
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1044

Analyze 5-chloro-2,3-dimethylthiophene;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethylthiophene;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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 158815595) is 5-chloro-2,3-dimethylthiophene;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1cc2cnccc2cc1C(N)=O.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(-c2n[nH]c(=O)[nH]2)s1.Cc1ccc(Cl)s1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.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;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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 IVFMPXWCZYLZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C11H10N2O.C10H9ClN2.C10H9FN2.C10H10N2.C10H9NS.2C9H9N3O.3C9H9N3.C9H10N2.C9H9NO.C9H9N.C8H8N2O.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;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;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;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-7-5-11-9(10)8(7)4-6;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(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*2-5H,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);2-7H,1H3;2*2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-4H,1H3,(H2,9,10);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;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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 3622.65 g/mol, XLogP of 44.38, 11 rotatable bonds, 20 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethylthiophene;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;1,4-dimethylimidazole;6-fluoro-7-methylisoquinolin-1-amine;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;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;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine;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 158815595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).