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

C12H9ClF3N3OS — CID 89433948

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C12H9ClF3N3OS/c1-2-10-18-5-8(21-10)11(20)19-9-3-6(12(14,15)16)7(13)4-17-9/h3-5H,2H2,1H3,(H,17,19,20)
InChIKeyFTPWFRDIQIBNOU-UHFFFAOYSA-N
MW335.74 g/mol
LogP4.03
Rot. Bonds3

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

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 89433948) has the molecular formula C12H9ClF3N3OS and a molecular weight of 335.74 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID89433948
Molecular FormulaC12H9ClF3N3OS
Molecular Weight335.74 g/mol
Exact Mass335.01
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C12H9ClF3N3OS/c1-2-10-18-5-8(21-10)11(20)19-9-3-6(12(14,15)16)7(13)4-17-9/h3-5H,2H2,1H3,(H,17,19,20)
InChIKeyFTPWFRDIQIBNOU-UHFFFAOYSA-N
XLogP4.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide (CID 89433948) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is FTPWFRDIQIBNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3OS/c1-2-10-18-5-8(21-10)11(20)19-9-3-6(12(14,15)16)7(13)4-17-9/h3-5H,2H2,1H3,(H,17,19,20).
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 335.74 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 89433948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).