2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine

C131H149N21O5S5 — CID 157060293

IUPAC2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine
SMILESCC(C)c1cc2cc(C#N)ccc2[nH]1.CC(C)c1cc2cc(C#N)ccc2n1C.CC(C)c1cc2cc(C(N)=O)ccc2[nH]1.CC(C)c1cc2ccc(C#N)cc2n1C.CC(C)c1cc2ccc(C(N)=O)cc2[nH]1.CC(C)c1cc2ccc(C(N)=O)cc2n1C.CC(C)c1ccc(-c2ccncc2)s1.CC(C)c1ccc(-c2cn[nH]c2)s1.COc1ncc(-c2ccc(C(C)C)s2)cn1.Cc1nc(-c2cnccn2)sc1C(C)C.Cc1ncc(-c2ccc(C(C)C)s2)o1
InChIInChI=1S/C13H16N2O.2C13H14N2.C12H14N2OS.2C12H14N2O.C12H12N2.C12H13NS.C11H13N3S.C11H13NOS.C10H12N2S/c1-8(2)11-6-9-4-5-10(13(14)16)7-12(9)15(11)3;1-9(2)13-7-11-6-10(8-14)4-5-12(11)15(13)3;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-8(2)10-4-5-11(16-10)9-6-13-12(15-3)14-7-9;1-7(2)11-6-9-5-8(12(13)15)3-4-10(9)14-11;1-7(2)10-5-8-3-4-9(12(13)15)6-11(8)14-10;1-8(2)12-6-10-5-9(7-13)3-4-11(10)14-12;1-9(2)11-3-4-12(14-11)10-5-7-13-8-6-10;1-7(2)10-8(3)14-11(15-10)9-6-12-4-5-13-9;1-7(2)10-4-5-11(14-10)9-6-12-8(3)13-9;1-7(2)9-3-4-10(13-9)8-5-11-12-6-8/h4-8H,1-3H3,(H2,14,16);2*4-7,9H,1-3H3;4-8H,1-3H3;2*3-7,14H,1-2H3,(H2,13,15);3-6,8,14H,1-2H3;3-9H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12)
InChIKeyABGHHFPBCVXFKC-UHFFFAOYSA-N
MW2258.11 g/mol
LogP34.09
Rot. Bonds20

About 2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine

2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine (PubChem CID 157060293) has the molecular formula C131H149N21O5S5 and a molecular weight of 2258.11 g/mol. Its IUPAC name is 2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine
PubChem CID157060293
Molecular FormulaC131H149N21O5S5
Molecular Weight2258.11 g/mol
Exact Mass2256.07
IUPAC Name2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine
SMILESCC(C)c1cc2cc(C#N)ccc2[nH]1.CC(C)c1cc2cc(C#N)ccc2n1C.CC(C)c1cc2cc(C(N)=O)ccc2[nH]1.CC(C)c1cc2ccc(C#N)cc2n1C.CC(C)c1cc2ccc(C(N)=O)cc2[nH]1.CC(C)c1cc2ccc(C(N)=O)cc2n1C.CC(C)c1ccc(-c2ccncc2)s1.CC(C)c1ccc(-c2cn[nH]c2)s1.COc1ncc(-c2ccc(C(C)C)s2)cn1.Cc1nc(-c2cnccn2)sc1C(C)C.Cc1ncc(-c2ccc(C(C)C)s2)o1
InChIInChI=1S/C13H16N2O.2C13H14N2.C12H14N2OS.2C12H14N2O.C12H12N2.C12H13NS.C11H13N3S.C11H13NOS.C10H12N2S/c1-8(2)11-6-9-4-5-10(13(14)16)7-12(9)15(11)3;1-9(2)13-7-11-6-10(8-14)4-5-12(11)15(13)3;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-8(2)10-4-5-11(16-10)9-6-13-12(15-3)14-7-9;1-7(2)11-6-9-5-8(12(13)15)3-4-10(9)14-11;1-7(2)10-5-8-3-4-9(12(13)15)6-11(8)14-10;1-8(2)12-6-10-5-9(7-13)3-4-11(10)14-12;1-9(2)11-3-4-12(14-11)10-5-7-13-8-6-10;1-7(2)10-8(3)14-11(15-10)9-6-12-4-5-13-9;1-7(2)10-4-5-11(14-10)9-6-12-8(3)13-9;1-7(2)9-3-4-10(13-9)8-5-11-12-6-8/h4-8H,1-3H3,(H2,14,16);2*4-7,9H,1-3H3;4-8H,1-3H3;2*3-7,14H,1-2H3,(H2,13,15);3-6,8,14H,1-2H3;3-9H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12)
InChIKeyABGHHFPBCVXFKC-UHFFFAOYSA-N
XLogP34.09
TPSA404.08 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002258.11
LogP ≤ 534.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine with MolForge

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Related Compounds

[6-[4-[2-[[5-methoxy-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-yl]amino]-5-(1H-pyrazol-4-yl)phenyl]-6-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]-[(2R)-2-methylpiperazin-1-yl]methanone
CID 137387806
7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole
CID 157061828
6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-yl-1,3-benzoxazole;6-tert-butyl-2-propan-2-yl-1H-indole;7-tert-butyl-2-propan-2-yl-1H-indole;3,6-ditert-butyl-1-benzofuran;3,6-ditert-butyl-1-benzothiophene;3,6-ditert-butyl-1H-indole;1,4-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)imidazolidin-2-one;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;3,5-di(propan-2-yl)-1H-1,2,4-triazole
CID 157120445
bis(1-benzofuran);bis(1-benzothiophene);bis(1,3-dihydroindol-2-one);1H-imidazole;bis(1H-indazole);bis(1H-indole);1-methylpiperidine;icosakis(2-methylpropane);1,3-oxazole;pyridine;1H-pyridin-2-one;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 157160092
4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);6-methyl-1H-indole;2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine
CID 157221558
4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine
CID 157336788
1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine
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5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-1-(4-methylphenyl)pyrazole;5-methyl-1-(4-methylphenyl)tetrazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;N-(4-methylphenyl)acetamide;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)furan;3-(4-methylphenyl)furan;1-(4-methylphenyl)imidazole;4-(4-methylphenyl)morpholine;5-(4-methylphenyl)-1,3-oxazole;1-(4-methylphenyl)pyrazole;4-(4-methylphenyl)thiadiazole;2-(4-methylphenyl)thiophene;N,N,3-trimethylaniline
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1-tert-butyl-2,3-dihydroindole-4-carbonitrile;1-ethyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;4-(5-methyl-4-propan-2-yl-3H-pyrrol-2-yl)pyridine;6-propan-2-yl-1H-benzimidazol-2-amine;5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole
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cumene;7-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuran;bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;6-propan-2-ylindolizine;5-propan-2-yl-2H-isoindole;4-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;6-propan-2-ylquinoxaline;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;5-propan-2-yl-1H-1,2,4-triazole
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1,5-dimethylbenzotriazole;1,6-dimethylbenzotriazole;2,5-dimethylfuro[2,3-b]pyridine;2,6-dimethylfuro[2,3-b]pyridine;3,5-dimethylfuro[2,3-b]pyridine;3,6-dimethylfuro[2,3-b]pyridine;1,5-dimethylindazole;1,6-dimethylindazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;1,5-dimethylpyrrolo[2,3-b]pyridine;1,6-dimethylpyrrolo[2,3-b]pyridine;2,5-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3,5-dimethylthieno[2,3-b]pyridine;3,6-dimethylthieno[2,3-b]pyridine;methane
CID 157597548
3-[[4-(1,3-benzothiazol-2-yl)-2-[bis(1,3-benzothiazol-2-yl)amino]-6-(ethylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;3-[[4-(1,3-benzoxazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-6-(ethylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[2,4-bis(1-methoxypropan-2-ylamino)-6-prop-2-enylpyrimidin-5-yl]diazenyl]-5-ethoxy-1-pyridin-3-ylpyrazole-4-carbonitrile;3-[[4,6-bis(1-methoxypropan-2-ylamino)-2-(2,4,6-trimethylanilino)pyrimidin-5-yl]diazenyl]-5-ethyl-1-(7H-purin-8-yl)pyrazole-4-carbonitrile;3-[[4-prop-2-enyl-2,6-bis(prop-2-enylamino)pyrimidin-5-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
CID 157669843

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine?
The IUPAC name of 2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine (CID 157060293) is 2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine.
What is the SMILES notation for 2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine?
The canonical SMILES for 2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine is CC(C)c1cc2cc(C#N)ccc2[nH]1.CC(C)c1cc2cc(C#N)ccc2n1C.CC(C)c1cc2cc(C(N)=O)ccc2[nH]1.CC(C)c1cc2ccc(C#N)cc2n1C.CC(C)c1cc2ccc(C(N)=O)cc2[nH]1.CC(C)c1cc2ccc(C(N)=O)cc2n1C.CC(C)c1ccc(-c2ccncc2)s1.CC(C)c1ccc(-c2cn[nH]c2)s1.COc1ncc(-c2ccc(C(C)C)s2)cn1.Cc1nc(-c2cnccn2)sc1C(C)C.Cc1ncc(-c2ccc(C(C)C)s2)o1.
What is the InChIKey of 2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine?
The InChIKey is ABGHHFPBCVXFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.2C13H14N2.C12H14N2OS.2C12H14N2O.C12H12N2.C12H13NS.C11H13N3S.C11H13NOS.C10H12N2S/c1-8(2)11-6-9-4-5-10(13(14)16)7-12(9)15(11)3;1-9(2)13-7-11-6-10(8-14)4-5-12(11)15(13)3;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-8(2)10-4-5-11(16-10)9-6-13-12(15-3)14-7-9;1-7(2)11-6-9-5-8(12(13)15)3-4-10(9)14-11;1-7(2)10-5-8-3-4-9(12(13)15)6-11(8)14-10;1-8(2)12-6-10-5-9(7-13)3-4-11(10)14-12;1-9(2)11-3-4-12(14-11)10-5-7-13-8-6-10;1-7(2)10-8(3)14-11(15-10)9-6-12-4-5-13-9;1-7(2)10-4-5-11(14-10)9-6-12-8(3)13-9;1-7(2)9-3-4-10(13-9)8-5-11-12-6-8/h4-8H,1-3H3,(H2,14,16);2*4-7,9H,1-3H3;4-8H,1-3H3;2*3-7,14H,1-2H3,(H2,13,15);3-6,8,14H,1-2H3;3-9H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12).
What are the key properties of 2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine?
2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine has a molecular weight of 2258.11 g/mol, XLogP of 34.09, 20 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-6-carboxamide;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;4-(5-propan-2-ylthiophen-2-yl)pyridine is sourced from PubChem (CID 157060293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).