N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide

C20H14F3N3OS — CID 58278852

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
SMILESCc1cnc(NC(=O)c2cccc3c2N=C(c2cccc(C(F)(F)F)c2)C3)s1
InChIInChI=1S/C20H14F3N3OS/c1-11-10-24-19(28-11)26-18(27)15-7-3-5-13-9-16(25-17(13)15)12-4-2-6-14(8-12)20(21,22)23/h2-8,10H,9H2,1H3,(H,24,26,27)
InChIKeyRPTWMROZJHQRIT-UHFFFAOYSA-N
MW401.41 g/mol
LogP5.40
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide (PubChem CID 58278852) has the molecular formula C20H14F3N3OS and a molecular weight of 401.41 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
PubChem CID58278852
Molecular FormulaC20H14F3N3OS
Molecular Weight401.41 g/mol
Exact Mass401.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
SMILESCc1cnc(NC(=O)c2cccc3c2N=C(c2cccc(C(F)(F)F)c2)C3)s1
InChIInChI=1S/C20H14F3N3OS/c1-11-10-24-19(28-11)26-18(27)15-7-3-5-13-9-16(25-17(13)15)12-4-2-6-14(8-12)20(21,22)23/h2-8,10H,9H2,1H3,(H,24,26,27)
InChIKeyRPTWMROZJHQRIT-UHFFFAOYSA-N
XLogP5.40
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.41
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58278684
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide
CID 58278699
N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 4813517
N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 89033838
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4846392
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58279245
2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58278966
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 166163058
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
1-(5-methyl-1,3-thiazol-2-yl)-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]urea
CID 112824707
5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 3232259

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide (CID 58278852) is N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide is Cc1cnc(NC(=O)c2cccc3c2N=C(c2cccc(C(F)(F)F)c2)C3)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide?
The InChIKey is RPTWMROZJHQRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3OS/c1-11-10-24-19(28-11)26-18(27)15-7-3-5-13-9-16(25-17(13)15)12-4-2-6-14(8-12)20(21,22)23/h2-8,10H,9H2,1H3,(H,24,26,27).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide has a molecular weight of 401.41 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide is sourced from PubChem (CID 58278852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).