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

C48H48ClFN8O5S2 — CID 160777689

IUPAC2-(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
SMILESCc1cc(Cl)ccc1C1=Nc2c(cccc2C(=O)O)C1.Cc1cc(F)ccc1C1=Nc2c(cccc2C(=O)Nc2nc(CN3CCOCC3)cs2)C1.Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C24H23FN4O2S.C16H12ClNO2.C8H13N3OS/c1-15-11-17(25)5-6-19(15)21-12-16-3-2-4-20(22(16)27-21)23(30)28-24-26-18(14-32-24)13-29-7-9-31-10-8-29;1-9-7-11(17)5-6-12(9)14-8-10-3-2-4-13(16(19)20)15(10)18-14;9-8-10-7(6-13-8)5-11-1-3-12-4-2-11/h2-6,11,14H,7-10,12-13H2,1H3,(H,26,28,30);2-7H,8H2,1H3,(H,19,20);6H,1-5H2,(H2,9,10)
InChIKeySADXUWBVADZBIC-UHFFFAOYSA-N
MW935.55 g/mol
LogP8.93
Rot. Bonds9

About 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

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 (PubChem CID 160777689) has the molecular formula C48H48ClFN8O5S2 and a molecular weight of 935.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID160777689
Molecular FormulaC48H48ClFN8O5S2
Molecular Weight935.55 g/mol
Exact Mass934.29
IUPAC Name2-(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
SMILESCc1cc(Cl)ccc1C1=Nc2c(cccc2C(=O)O)C1.Cc1cc(F)ccc1C1=Nc2c(cccc2C(=O)Nc2nc(CN3CCOCC3)cs2)C1.Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C24H23FN4O2S.C16H12ClNO2.C8H13N3OS/c1-15-11-17(25)5-6-19(15)21-12-16-3-2-4-20(22(16)27-21)23(30)28-24-26-18(14-32-24)13-29-7-9-31-10-8-29;1-9-7-11(17)5-6-12(9)14-8-10-3-2-4-13(16(19)20)15(10)18-14;9-8-10-7(6-13-8)5-11-1-3-12-4-2-11/h2-6,11,14H,7-10,12-13H2,1H3,(H,26,28,30);2-7H,8H2,1H3,(H,19,20);6H,1-5H2,(H2,9,10)
InChIKeySADXUWBVADZBIC-UHFFFAOYSA-N
XLogP8.93
TPSA167.86 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500935.55
LogP ≤ 58.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

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-(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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Cl)ccc1C1=Nc2c(cccc2C(=O)O)C1.Cc1cc(F)ccc1C1=Nc2c(cccc2C(=O)Nc2nc(CN3CCOCC3)cs2)C1.Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of 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?
The InChIKey is SADXUWBVADZBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S.C16H12ClNO2.C8H13N3OS/c1-15-11-17(25)5-6-19(15)21-12-16-3-2-4-20(22(16)27-21)23(30)28-24-26-18(14-32-24)13-29-7-9-31-10-8-29;1-9-7-11(17)5-6-12(9)14-8-10-3-2-4-13(16(19)20)15(10)18-14;9-8-10-7(6-13-8)5-11-1-3-12-4-2-11/h2-6,11,14H,7-10,12-13H2,1H3,(H,26,28,30);2-7H,8H2,1H3,(H,19,20);6H,1-5H2,(H2,9,10).
What are the key properties of 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?
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 has a molecular weight of 935.55 g/mol, XLogP of 8.93, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160777689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).