N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide

C15H16F3N3OS — CID 34857534

IUPACN,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3OS/c1-9-12(13(19-2)23-20-9)14(22)21(3)8-10-4-6-11(7-5-10)15(16,17)18/h4-7,19H,8H2,1-3H3
InChIKeyBMUGHGYUEYZLFM-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.78
Rot. Bonds4

About N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide

N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide (PubChem CID 34857534) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
PubChem CID34857534
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC NameN,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3OS/c1-9-12(13(19-2)23-20-9)14(22)21(3)8-10-4-6-11(7-5-10)15(16,17)18/h4-7,19H,8H2,1-3H3
InChIKeyBMUGHGYUEYZLFM-UHFFFAOYSA-N
XLogP3.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-5-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 37988608
3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 42925901
N-[(2,4-difluorophenyl)methyl]-N,3-dimethyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 37947341
3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 41993861
4-Isothiazolecarboxamide, 5-benzamido-N-cyclohexyl-3-methyl-
CID 32182
3-methyl-5-(methylamino)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 32918468
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 42953880
N-[1-(3,4-difluorophenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 45860923
(4-Benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 25326408
N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 38456620
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 51927656
N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide
CID 95174656

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide (CID 34857534) is N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is BMUGHGYUEYZLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-9-12(13(19-2)23-20-9)14(22)21(3)8-10-4-6-11(7-5-10)15(16,17)18/h4-7,19H,8H2,1-3H3.
What are the key properties of N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide?
N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 34857534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).