N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C12H10ClF3N2OS2 — CID 100684155

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C12H10ClF3N2OS2/c1-2-18(5-7-3-4-9(13)21-7)10(19)8-6-20-11(17-8)12(14,15)16/h3-4,6H,2,5H2,1H3
InChIKeyRTVLUUJNIWXLTI-UHFFFAOYSA-N
MW354.81 g/mol
LogP4.54
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 100684155) has the molecular formula C12H10ClF3N2OS2 and a molecular weight of 354.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID100684155
Molecular FormulaC12H10ClF3N2OS2
Molecular Weight354.81 g/mol
Exact Mass353.99
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C12H10ClF3N2OS2/c1-2-18(5-7-3-4-9(13)21-7)10(19)8-6-20-11(17-8)12(14,15)16/h3-4,6H,2,5H2,1H3
InChIKeyRTVLUUJNIWXLTI-UHFFFAOYSA-N
XLogP4.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-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-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 100684155) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)c1csc(C(F)(F)F)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RTVLUUJNIWXLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2OS2/c1-2-18(5-7-3-4-9(13)21-7)10(19)8-6-20-11(17-8)12(14,15)16/h3-4,6H,2,5H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 354.81 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 100684155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).