2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

C24H17N3OS — CID 58278817

IUPAC2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1-c1ccccc1)C2
InChIInChI=1S/C24H17N3OS/c28-23(27-24-25-13-14-29-24)20-12-6-9-17-15-21(26-22(17)20)19-11-5-4-10-18(19)16-7-2-1-3-8-16/h1-14H,15H2,(H,25,27,28)
InChIKeyHBSKEIBYROTQRU-UHFFFAOYSA-N
MW395.49 g/mol
LogP5.74
Rot. Bonds4

About 2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (PubChem CID 58278817) has the molecular formula C24H17N3OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.

Molecular Properties

Compound Name2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
PubChem CID58278817
Molecular FormulaC24H17N3OS
Molecular Weight395.49 g/mol
Exact Mass395.11
IUPAC Name2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1-c1ccccc1)C2
InChIInChI=1S/C24H17N3OS/c28-23(27-24-25-13-14-29-24)20-12-6-9-17-15-21(26-22(17)20)19-11-5-4-10-18(19)16-7-2-1-3-8-16/h1-14H,15H2,(H,25,27,28)
InChIKeyHBSKEIBYROTQRU-UHFFFAOYSA-N
XLogP5.74
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-Thiazol-2-YL)-1-naphthamide
CID 686200
2-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829043
N-(1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 780357
2-amino-N-(1,3-thiazol-2-yl)benzamide
CID 847246
2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4(3H)-one
CID 828456
2-[(phenylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1230956
2-(2,5-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 1261317
2-(3-Butyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 3173042
(4E)-2-(1,3-thiazol-2-yl)-4-[(2,4,6-trimethylanilino)methylidene]isoquinoline-1,3-dione
CID 3607027
(4E)-4-[(2,4-dimethylanilino)methylidene]-2-(1,3-thiazol-2-yl)isoquinoline-1,3-dione
CID 4606239
2-benzamido-N-(1,3-thiazol-2-yl)benzamide
CID 355710
(2S)-3-cyclohexyl-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 24745328

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The IUPAC name of 2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (CID 58278817) is 2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.
What is the SMILES notation for 2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The canonical SMILES for 2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is O=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1-c1ccccc1)C2.
What is the InChIKey of 2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The InChIKey is HBSKEIBYROTQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3OS/c28-23(27-24-25-13-14-29-24)20-12-6-9-17-15-21(26-22(17)20)19-11-5-4-10-18(19)16-7-2-1-3-8-16/h1-14H,15H2,(H,25,27,28).
What are the key properties of 2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is sourced from PubChem (CID 58278817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).