N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide

C16H16F3N3O2S — CID 46113871

IUPACN-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESCC(C)N(C)C(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H16F3N3O2S/c1-9(2)22(3)14(24)12-8-25-15(20-12)21-13(23)10-5-4-6-11(7-10)16(17,18)19/h4-9H,1-3H3,(H,20,21,23)
InChIKeyMGCHEUYJLRBBDG-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.89
Rot. Bonds4

About N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide

N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 46113871) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID46113871
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC NameN-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESCC(C)N(C)C(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H16F3N3O2S/c1-9(2)22(3)14(24)12-8-25-15(20-12)21-13(23)10-5-4-6-11(7-10)16(17,18)19/h4-9H,1-3H3,(H,20,21,23)
InChIKeyMGCHEUYJLRBBDG-UHFFFAOYSA-N
XLogP3.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
CID 87544502
N-methyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113897
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 46674238
2-[(2-fluorobenzoyl)amino]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46114246
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 46113857
N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113889
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3638177
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 16916129
N-[3-(2-methylpiperidin-1-yl)propyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113866
2-[methyl-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119358794

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (CID 46113871) is N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is CC(C)N(C)C(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is MGCHEUYJLRBBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c1-9(2)22(3)14(24)12-8-25-15(20-12)21-13(23)10-5-4-6-11(7-10)16(17,18)19/h4-9H,1-3H3,(H,20,21,23).
What are the key properties of N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46113871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).