N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide

C20H14F3N3OS — CID 26177070

IUPACN-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C20H14F3N3OS/c1-11-17(13-7-3-5-9-15(13)24-11)16-10-28-19(25-16)26-18(27)12-6-2-4-8-14(12)20(21,22)23/h2-10,24H,1H3,(H,25,26,27)
InChIKeyAMLRFCORGMQLQX-UHFFFAOYSA-N
MW401.41 g/mol
LogP5.87
Rot. Bonds3

About N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide

N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 26177070) has the molecular formula C20H14F3N3OS and a molecular weight of 401.41 g/mol. Its IUPAC name is N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID26177070
Molecular FormulaC20H14F3N3OS
Molecular Weight401.41 g/mol
Exact Mass401.08
IUPAC NameN-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C20H14F3N3OS/c1-11-17(13-7-3-5-9-15(13)24-11)16-10-28-19(25-16)26-18(27)12-6-2-4-8-14(12)20(21,22)23/h2-10,24H,1H3,(H,25,26,27)
InChIKeyAMLRFCORGMQLQX-UHFFFAOYSA-N
XLogP5.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.41
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide
CID 75401712
6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 46970234
2-(trifluoromethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4857176
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26249519
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608215
2,6-difluoro-N-[(2S)-3-methyl-1-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 24568899
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 39768680
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 24568913
2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
CID 7901259
2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 86935773
3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 86967511
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride
CID 146052089

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide (CID 26177070) is N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide is Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is AMLRFCORGMQLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3OS/c1-11-17(13-7-3-5-9-15(13)24-11)16-10-28-19(25-16)26-18(27)12-6-2-4-8-14(12)20(21,22)23/h2-10,24H,1H3,(H,25,26,27).
What are the key properties of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide?
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 401.41 g/mol, XLogP of 5.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 26177070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).