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

C17H19F3N4O2S — CID 38456620

IUPACN,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O2S/c1-10-13(15(21-2)27-23-10)16(26)24(3)8-11-4-6-12(7-5-11)14(25)22-9-17(18,19)20/h4-7,21H,8-9H2,1-3H3,(H,22,25)
InChIKeyPOYKHHCKNWPUGA-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.06
Rot. Bonds6

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

N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide (PubChem CID 38456620) has the molecular formula C17H19F3N4O2S and a molecular weight of 400.43 g/mol. Its IUPAC name is N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
PubChem CID38456620
Molecular FormulaC17H19F3N4O2S
Molecular Weight400.43 g/mol
Exact Mass400.12
IUPAC NameN,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O2S/c1-10-13(15(21-2)27-23-10)16(26)24(3)8-11-4-6-12(7-5-11)14(25)22-9-17(18,19)20/h4-7,21H,8-9H2,1-3H3,(H,22,25)
InChIKeyPOYKHHCKNWPUGA-UHFFFAOYSA-N
XLogP3.06
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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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
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CID 32181
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-[1-(3,4-difluorophenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 45860923
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CID 45505523
N-(3-methylisothiazol-5-yl)-3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide
CID 49720315
(4-Benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 25326408
N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 34857534

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide (CID 38456620) is N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is POYKHHCKNWPUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2S/c1-10-13(15(21-2)27-23-10)16(26)24(3)8-11-4-6-12(7-5-11)14(25)22-9-17(18,19)20/h4-7,21H,8-9H2,1-3H3,(H,22,25).
What are the key properties of N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide?
N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 38456620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).