2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine

C48H50N8O3S2 — CID 161430839

IUPAC2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
SMILESCc1cc(CN2CCCC2)ccc1C1=Nc2c(cccc2C(=O)Nc2nccs2)C1.Cc1cc(CN2CCCC2)ccc1C1=Nc2c(cccc2C(=O)O)C1.Nc1nccs1
InChIInChI=1S/C24H24N4OS.C21H22N2O2.C3H4N2S/c1-16-13-17(15-28-10-2-3-11-28)7-8-19(16)21-14-18-5-4-6-20(22(18)26-21)23(29)27-24-25-9-12-30-24;1-14-11-15(13-23-9-2-3-10-23)7-8-17(14)19-12-16-5-4-6-18(21(24)25)20(16)22-19;4-3-5-1-2-6-3/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,25,27,29);4-8,11H,2-3,9-10,12-13H2,1H3,(H,24,25);1-2H,(H2,4,5)
InChIKeyVXZHQDDBUZSDTJ-UHFFFAOYSA-N
MW851.12 g/mol
LogP9.67
Rot. Bonds9

About 2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine

2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine (PubChem CID 161430839) has the molecular formula C48H50N8O3S2 and a molecular weight of 851.12 g/mol. Its IUPAC name is 2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine.

Molecular Properties

Compound Name2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
PubChem CID161430839
Molecular FormulaC48H50N8O3S2
Molecular Weight851.12 g/mol
Exact Mass850.34
IUPAC Name2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
SMILESCc1cc(CN2CCCC2)ccc1C1=Nc2c(cccc2C(=O)Nc2nccs2)C1.Cc1cc(CN2CCCC2)ccc1C1=Nc2c(cccc2C(=O)O)C1.Nc1nccs1
InChIInChI=1S/C24H24N4OS.C21H22N2O2.C3H4N2S/c1-16-13-17(15-28-10-2-3-11-28)7-8-19(16)21-14-18-5-4-6-20(22(18)26-21)23(29)27-24-25-9-12-30-24;1-14-11-15(13-23-9-2-3-10-23)7-8-17(14)19-12-16-5-4-6-18(21(24)25)20(16)22-19;4-3-5-1-2-6-3/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,25,27,29);4-8,11H,2-3,9-10,12-13H2,1H3,(H,24,25);1-2H,(H2,4,5)
InChIKeyVXZHQDDBUZSDTJ-UHFFFAOYSA-N
XLogP9.67
TPSA149.40 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500851.12
LogP ≤ 59.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine with MolForge

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Related Compounds

1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-benzothiazole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1,3-benzothiazole-4-carboxylic acid
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1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide
CID 143049849
2-(4-methyl-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(4-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-3H-indole-7-carboxamide;5-methyl-1,3-thiazol-2-amine
CID 157707923
2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 158319822
2-(2-methylphenyl)-5-morpholin-4-yl-3H-indole-7-carboxylic acid;2-(2-methylphenyl)-5-morpholin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 158673114
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-indole-7-carboxylic acid;2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 160249261
2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3H-indole-7-carboxylic acid;2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 160766079
potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane
CID 160800996
2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 160957646
2-(2-methylphenyl)-3H-indole-7-carboxylic acid;2-(2-methylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 161369882
2-[2-(difluoromethyl)-4-fluorophenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 161481808

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?
The IUPAC name of 2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine (CID 161430839) is 2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine.
What is the SMILES notation for 2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?
The canonical SMILES for 2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine is Cc1cc(CN2CCCC2)ccc1C1=Nc2c(cccc2C(=O)Nc2nccs2)C1.Cc1cc(CN2CCCC2)ccc1C1=Nc2c(cccc2C(=O)O)C1.Nc1nccs1.
What is the InChIKey of 2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?
The InChIKey is VXZHQDDBUZSDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS.C21H22N2O2.C3H4N2S/c1-16-13-17(15-28-10-2-3-11-28)7-8-19(16)21-14-18-5-4-6-20(22(18)26-21)23(29)27-24-25-9-12-30-24;1-14-11-15(13-23-9-2-3-10-23)7-8-17(14)19-12-16-5-4-6-18(21(24)25)20(16)22-19;4-3-5-1-2-6-3/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,25,27,29);4-8,11H,2-3,9-10,12-13H2,1H3,(H,24,25);1-2H,(H2,4,5).
What are the key properties of 2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?
2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine has a molecular weight of 851.12 g/mol, XLogP of 9.67, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine is sourced from PubChem (CID 161430839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).