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

C19H12F3N3O2S — CID 58278699

IUPACN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1cccc(OC(F)(F)F)c1)C2
InChIInChI=1S/C19H12F3N3O2S/c20-19(21,22)27-13-5-1-3-11(9-13)15-10-12-4-2-6-14(16(12)24-15)17(26)25-18-23-7-8-28-18/h1-9H,10H2,(H,23,25,26)
InChIKeyCCADFGRIXBJJHO-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.97
Rot. Bonds4

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

N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide (PubChem CID 58278699) has the molecular formula C19H12F3N3O2S and a molecular weight of 403.39 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide
PubChem CID58278699
Molecular FormulaC19H12F3N3O2S
Molecular Weight403.39 g/mol
Exact Mass403.06
IUPAC NameN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1cccc(OC(F)(F)F)c1)C2
InChIInChI=1S/C19H12F3N3O2S/c20-19(21,22)27-13-5-1-3-11(9-13)15-10-12-4-2-6-14(16(12)24-15)17(26)25-18-23-7-8-28-18/h1-9H,10H2,(H,23,25,26)
InChIKeyCCADFGRIXBJJHO-UHFFFAOYSA-N
XLogP4.97
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279305
2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279339
2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58278747
2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58278966
2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279011
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58278852
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58278684
2-[3-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiaborol-2-yl)-3H-indole-7-carboxamide
CID 58279333
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58279245
2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide
CID 87189840

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide (CID 58278699) is N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide is O=C(Nc1nccs1)c1cccc2c1N=C(c1cccc(OC(F)(F)F)c1)C2.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide?
The InChIKey is CCADFGRIXBJJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O2S/c20-19(21,22)27-13-5-1-3-11(9-13)15-10-12-4-2-6-14(16(12)24-15)17(26)25-18-23-7-8-28-18/h1-9H,10H2,(H,23,25,26).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide?
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide is sourced from PubChem (CID 58278699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).