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

C12H8ClF3N2OS — CID 850250

IUPAC2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8ClF3N2OS/c1-6-9(20-11(13)17-6)10(19)18-8-4-2-7(3-5-8)12(14,15)16/h2-5H,1H3,(H,18,19)
InChIKeyMTVDHPMZNYZXSB-UHFFFAOYSA-N
MW320.72 g/mol
LogP4.38
Rot. Bonds2

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

2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 850250) has the molecular formula C12H8ClF3N2OS and a molecular weight of 320.72 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID850250
Molecular FormulaC12H8ClF3N2OS
Molecular Weight320.72 g/mol
Exact Mass320.00
IUPAC Name2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8ClF3N2OS/c1-6-9(20-11(13)17-6)10(19)18-8-4-2-7(3-5-8)12(14,15)16/h2-5H,1H3,(H,18,19)
InChIKeyMTVDHPMZNYZXSB-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 2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 850250) is 2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(Cl)sc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MTVDHPMZNYZXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2OS/c1-6-9(20-11(13)17-6)10(19)18-8-4-2-7(3-5-8)12(14,15)16/h2-5H,1H3,(H,18,19).
What are the key properties of 2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-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 2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).