2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C7H7F3N2OS — CID 58458786

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C7H7F3N2OS/c1-4-11-2-5(14-4)6(13)12-3-7(8,9)10/h2H,3H2,1H3,(H,12,13)
InChIKeyGCPREOIDRZBXIN-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.74
Rot. Bonds2

About 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 58458786) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID58458786
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C7H7F3N2OS/c1-4-11-2-5(14-4)6(13)12-3-7(8,9)10/h2H,3H2,1H3,(H,12,13)
InChIKeyGCPREOIDRZBXIN-UHFFFAOYSA-N
XLogP1.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 58458786) is 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GCPREOIDRZBXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-4-11-2-5(14-4)6(13)12-3-7(8,9)10/h2H,3H2,1H3,(H,12,13).
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 224.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58458786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).