N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide

C19H12F3N3OS — CID 58278759

IUPACN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)14-7-2-1-5-12(14)15-10-11-4-3-6-13(16(11)24-15)17(26)25-18-23-8-9-27-18/h1-9H,10H2,(H,23,25,26)
InChIKeyRBZOYCLCSADKMS-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.09
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide

N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide (PubChem CID 58278759) has the molecular formula C19H12F3N3OS and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
PubChem CID58278759
Molecular FormulaC19H12F3N3OS
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC NameN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)14-7-2-1-5-12(14)15-10-11-4-3-6-13(16(11)24-15)17(26)25-18-23-8-9-27-18/h1-9H,10H2,(H,23,25,26)
InChIKeyRBZOYCLCSADKMS-UHFFFAOYSA-N
XLogP5.09
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-Thiazol-2-YL)-1-naphthamide
CID 686200
o-Tolyl-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
CID 9998721
4-Hydroxy-2,8-bis-trifluoromethyl-quinoline-3-carboxylic acid thiazol-2-ylamide
CID 14140520
(2-Ethyl-phenyl)-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
CID 44390147
(2-Trifluoromethyl-phenyl)-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
CID 44390156
2-amino-N-(1,3-thiazol-2-yl)benzamide
CID 847246
4-Oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxamide
CID 13381349
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
(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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide (CID 58278759) is N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide is O=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1C(F)(F)F)C2.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide?
The InChIKey is RBZOYCLCSADKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3OS/c20-19(21,22)14-7-2-1-5-12(14)15-10-11-4-3-6-13(16(11)24-15)17(26)25-18-23-8-9-27-18/h1-9H,10H2,(H,23,25,26).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide?
N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide is sourced from PubChem (CID 58278759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).