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

C12H8ClF3N2OS — CID 110863785

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)s1
InChIInChI=1S/C12H8ClF3N2OS/c1-6-17-5-10(20-6)11(19)18-9-3-2-7(13)4-8(9)12(14,15)16/h2-5H,1H3,(H,18,19)
InChIKeyMHKHWRVBZPKWEL-UHFFFAOYSA-N
MW320.72 g/mol
LogP4.38
Rot. Bonds2

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110863785) has the molecular formula C12H8ClF3N2OS and a molecular weight of 320.72 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID110863785
Molecular FormulaC12H8ClF3N2OS
Molecular Weight320.72 g/mol
Exact Mass320.00
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)s1
InChIInChI=1S/C12H8ClF3N2OS/c1-6-17-5-10(20-6)11(19)18-9-3-2-7(13)4-8(9)12(14,15)16/h2-5H,1H3,(H,18,19)
InChIKeyMHKHWRVBZPKWEL-UHFFFAOYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.72
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 110863785) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)s1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MHKHWRVBZPKWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2OS/c1-6-17-5-10(20-6)11(19)18-9-3-2-7(13)4-8(9)12(14,15)16/h2-5H,1H3,(H,18,19).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 320.72 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110863785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).