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

C46H46N8O5S2 — CID 158673114

IUPAC2-(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
SMILESCc1ccccc1C1=Nc2c(cc(N3CCOCC3)cc2C(=O)Nc2nccs2)C1.Cc1ccccc1C1=Nc2c(cc(N3CCOCC3)cc2C(=O)O)C1.Nc1nccs1
InChIInChI=1S/C23H22N4O2S.C20H20N2O3.C3H4N2S/c1-15-4-2-3-5-18(15)20-13-16-12-17(27-7-9-29-10-8-27)14-19(21(16)25-20)22(28)26-23-24-6-11-30-23;1-13-4-2-3-5-16(13)18-11-14-10-15(22-6-8-25-9-7-22)12-17(20(23)24)19(14)21-18;4-3-5-1-2-6-3/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,26,28);2-5,10,12H,6-9,11H2,1H3,(H,23,24);1-2H,(H2,4,5)
InChIKeyIEEQSLPJFYDEFL-UHFFFAOYSA-N
MW855.06 g/mol
LogP8.15
Rot. Bonds7

About 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

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 (PubChem CID 158673114) has the molecular formula C46H46N8O5S2 and a molecular weight of 855.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158673114
Molecular FormulaC46H46N8O5S2
Molecular Weight855.06 g/mol
Exact Mass854.30
IUPAC Name2-(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
SMILESCc1ccccc1C1=Nc2c(cc(N3CCOCC3)cc2C(=O)Nc2nccs2)C1.Cc1ccccc1C1=Nc2c(cc(N3CCOCC3)cc2C(=O)O)C1.Nc1nccs1
InChIInChI=1S/C23H22N4O2S.C20H20N2O3.C3H4N2S/c1-15-4-2-3-5-18(15)20-13-16-12-17(27-7-9-29-10-8-27)14-19(21(16)25-20)22(28)26-23-24-6-11-30-23;1-13-4-2-3-5-16(13)18-11-14-10-15(22-6-8-25-9-7-22)12-17(20(23)24)19(14)21-18;4-3-5-1-2-6-3/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,26,28);2-5,10,12H,6-9,11H2,1H3,(H,23,24);1-2H,(H2,4,5)
InChIKeyIEEQSLPJFYDEFL-UHFFFAOYSA-N
XLogP8.15
TPSA167.86 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500855.06
LogP ≤ 58.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

1-benzyl-6-(morpholine-4-carbonyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide;1H-indole-6-carboxylic acid
CID 87418857
2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
CID 123344718
2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
CID 123889472
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-(4-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;2-(4-fluoro-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3H-indole-7-carboxamide;methane;4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 159148859
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
2-(4-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;2-(4-fluoro-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3H-indole-7-carboxamide;4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 160777689
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-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
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1C1=Nc2c(cc(N3CCOCC3)cc2C(=O)Nc2nccs2)C1.Cc1ccccc1C1=Nc2c(cc(N3CCOCC3)cc2C(=O)O)C1.Nc1nccs1.
What is the InChIKey of 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?
The InChIKey is IEEQSLPJFYDEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S.C20H20N2O3.C3H4N2S/c1-15-4-2-3-5-18(15)20-13-16-12-17(27-7-9-29-10-8-27)14-19(21(16)25-20)22(28)26-23-24-6-11-30-23;1-13-4-2-3-5-16(13)18-11-14-10-15(22-6-8-25-9-7-22)12-17(20(23)24)19(14)21-18;4-3-5-1-2-6-3/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,26,28);2-5,10,12H,6-9,11H2,1H3,(H,23,24);1-2H,(H2,4,5).
What are the key properties of 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?
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 has a molecular weight of 855.06 g/mol, XLogP of 8.15, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158673114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).