2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide

C82H71ClN12O5S2 — CID 160971253

IUPAC2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccno3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnc[nH]3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3csc(Cl)n3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1
InChIInChI=1S/C22H20N2OS.C20H16ClN3OS.C20H18N4O.C20H17N3O2/c1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21;1-13-6-8-14(9-7-13)10-24-11-16(15-4-2-3-5-18(15)24)22-19(25)17-12-26-20(21)23-17;1-14-6-8-15(9-7-14)11-24-12-18(16-4-2-3-5-19(16)24)23-20(25)17-10-21-13-22-17;1-14-6-8-15(9-7-14)12-23-13-17(16-4-2-3-5-18(16)23)22-20(24)19-10-11-21-25-19/h3-12,14H,13H2,1-2H3,(H,23,25);2-9,11-12H,10H2,1H3,(H,22,25);2-10,12-13H,11H2,1H3,(H,21,22)(H,23,25);2-11,13H,12H2,1H3,(H,22,24)
InChIKeySYGYUBKMZSUWJV-UHFFFAOYSA-N
MW1404.14 g/mol
LogP19.19
Rot. Bonds16

About 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide

2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 160971253) has the molecular formula C82H71ClN12O5S2 and a molecular weight of 1404.14 g/mol. Its IUPAC name is 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID160971253
Molecular FormulaC82H71ClN12O5S2
Molecular Weight1404.14 g/mol
Exact Mass1402.48
IUPAC Name2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccno3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnc[nH]3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3csc(Cl)n3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1
InChIInChI=1S/C22H20N2OS.C20H16ClN3OS.C20H18N4O.C20H17N3O2/c1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21;1-13-6-8-14(9-7-13)10-24-11-16(15-4-2-3-5-18(15)24)22-19(25)17-12-26-20(21)23-17;1-14-6-8-15(9-7-14)11-24-12-18(16-4-2-3-5-19(16)24)23-20(25)17-10-21-13-22-17;1-14-6-8-15(9-7-14)12-23-13-17(16-4-2-3-5-18(16)23)22-20(24)19-10-11-21-25-19/h3-12,14H,13H2,1-2H3,(H,23,25);2-9,11-12H,10H2,1H3,(H,22,25);2-10,12-13H,11H2,1H3,(H,21,22)(H,23,25);2-11,13H,12H2,1H3,(H,22,24)
InChIKeySYGYUBKMZSUWJV-UHFFFAOYSA-N
XLogP19.19
TPSA203.72 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001404.14
LogP ≤ 519.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-(1,3-diphenylpyrazol-5-yl)-1H-imidazole-2-carboxamide;N-(1,3-diphenylpyrazol-5-yl)-2-methylpyrazole-3-carboxamide;N-(1,3-diphenylpyrazol-5-yl)-1,2-oxazole-5-carboxamide;N-(1,3-diphenylpyrazol-5-yl)-1,3-thiazole-5-carboxamide;N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 160842345
2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine
CID 163913600
4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
CID 157423883
2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
CID 159438464
2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
CID 159752831
(2R)-N-(1H-imidazol-2-yl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenylacetamide;bis((2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide);(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,2-oxazol-4-yl)-2-phenylacetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-pyrimidin-5-ylacetamide
CID 160101958
2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
CID 161803837

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide (CID 160971253) is 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3ccno3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnc[nH]3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3csc(Cl)n3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1.
What is the InChIKey of 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is SYGYUBKMZSUWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS.C20H16ClN3OS.C20H18N4O.C20H17N3O2/c1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21;1-13-6-8-14(9-7-13)10-24-11-16(15-4-2-3-5-18(15)24)22-19(25)17-12-26-20(21)23-17;1-14-6-8-15(9-7-14)11-24-12-18(16-4-2-3-5-19(16)24)23-20(25)17-10-21-13-22-17;1-14-6-8-15(9-7-14)12-23-13-17(16-4-2-3-5-18(16)23)22-20(24)19-10-11-21-25-19/h3-12,14H,13H2,1-2H3,(H,23,25);2-9,11-12H,10H2,1H3,(H,22,25);2-10,12-13H,11H2,1H3,(H,21,22)(H,23,25);2-11,13H,12H2,1H3,(H,22,24).
What are the key properties of 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide?
2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 1404.14 g/mol, XLogP of 19.19, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 160971253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).