2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

C12H8ClF3N2O2S — CID 75489943

IUPAC2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(Cl)nc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H8ClF3N2O2S/c1-6-9(18-11(13)21-6)10(19)17-7-2-4-8(5-3-7)20-12(14,15)16/h2-5H,1H3,(H,17,19)
InChIKeyBGNAHIVNJSXUQP-UHFFFAOYSA-N
MW336.72 g/mol
LogP4.26
Rot. Bonds3

About 2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 75489943) has the molecular formula C12H8ClF3N2O2S and a molecular weight of 336.72 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID75489943
Molecular FormulaC12H8ClF3N2O2S
Molecular Weight336.72 g/mol
Exact Mass335.99
IUPAC Name2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(Cl)nc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H8ClF3N2O2S/c1-6-9(18-11(13)21-6)10(19)17-7-2-4-8(5-3-7)20-12(14,15)16/h2-5H,1H3,(H,17,19)
InChIKeyBGNAHIVNJSXUQP-UHFFFAOYSA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.72
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 75489943) is 2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is Cc1sc(Cl)nc1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BGNAHIVNJSXUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2S/c1-6-9(18-11(13)21-6)10(19)17-7-2-4-8(5-3-7)20-12(14,15)16/h2-5H,1H3,(H,17,19).
What are the key properties of 2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 336.72 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75489943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).