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

C7H7F3N2OS — CID 176758972

IUPACN-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1nccs1
InChIInChI=1S/C7H7F3N2OS/c1-12(4-7(8,9)10)6(13)5-11-2-3-14-5/h2-3H,4H2,1H3
InChIKeyMOHHNWQGYVIXJO-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.78
Rot. Bonds2

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

N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide (PubChem CID 176758972) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
PubChem CID176758972
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1nccs1
InChIInChI=1S/C7H7F3N2OS/c1-12(4-7(8,9)10)6(13)5-11-2-3-14-5/h2-3H,4H2,1H3
InChIKeyMOHHNWQGYVIXJO-UHFFFAOYSA-N
XLogP1.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide (CID 176758972) is N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide is CN(CC(F)(F)F)C(=O)c1nccs1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is MOHHNWQGYVIXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-12(4-7(8,9)10)6(13)5-11-2-3-14-5/h2-3H,4H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 224.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 176758972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).