N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C13H11F3N2OS — CID 91573654

IUPACN-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)NCc2ccccc2)s1
InChIInChI=1S/C13H11F3N2OS/c1-8-18-11(13(14,15)16)10(20-8)12(19)17-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,17,19)
InChIKeyLMVGHSSXPRWLHA-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.40
Rot. Bonds3

About N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 91573654) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID91573654
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC NameN-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)NCc2ccccc2)s1
InChIInChI=1S/C13H11F3N2OS/c1-8-18-11(13(14,15)16)10(20-8)12(19)17-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,17,19)
InChIKeyLMVGHSSXPRWLHA-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 90881118
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
3-amino-N-benzyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 69232830
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 21043952
4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 116668033
2,4-dimethyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 90546337
2-[4-[2-[5-[(4-methoxyphenyl)methylcarbamoyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethynyl]phenyl]acetic acid
CID 68646394
2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide
CID 1483657
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
4-ethyl-2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 155970335
N-(2,6-dibromo-4-methylphenyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 58513026

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 91573654) is N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)NCc2ccccc2)s1.
What is the InChIKey of N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LMVGHSSXPRWLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-8-18-11(13(14,15)16)10(20-8)12(19)17-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91573654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).