N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C7H7F3N2OS — CID 84561087

IUPACN,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCN(C)C(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c1-12(2)6(13)4-5(7(8,9)10)11-3-14-4/h3H,1-2H3
InChIKeyHVVMZRUSAQSZMY-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.86
Rot. Bonds1

About N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84561087) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84561087
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC NameN,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCN(C)C(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c1-12(2)6(13)4-5(7(8,9)10)11-3-14-4/h3H,1-2H3
InChIKeyHVVMZRUSAQSZMY-UHFFFAOYSA-N
XLogP1.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84561087) is N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CN(C)C(=O)c1scnc1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HVVMZRUSAQSZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-12(2)6(13)4-5(7(8,9)10)11-3-14-4/h3H,1-2H3.
What are the key properties of N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 224.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84561087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).