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

C15H13F3N4OS2 — CID 70787012

IUPACN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H13F3N4OS2/c1-9-7-12(15(16,17)18)21-22(9)5-4-19-13(23)10-8-25-14(20-10)11-3-2-6-24-11/h2-3,6-8H,4-5H2,1H3,(H,19,23)
InChIKeyCZLAMDFRIDXRIL-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.83
Rot. Bonds5

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

N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 70787012) has the molecular formula C15H13F3N4OS2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID70787012
Molecular FormulaC15H13F3N4OS2
Molecular Weight386.42 g/mol
Exact Mass386.05
IUPAC NameN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H13F3N4OS2/c1-9-7-12(15(16,17)18)21-22(9)5-4-19-13(23)10-8-25-14(20-10)11-3-2-6-24-11/h2-3,6-8H,4-5H2,1H3,(H,19,23)
InChIKeyCZLAMDFRIDXRIL-UHFFFAOYSA-N
XLogP3.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-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-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 70787012) is N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CZLAMDFRIDXRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4OS2/c1-9-7-12(15(16,17)18)21-22(9)5-4-19-13(23)10-8-25-14(20-10)11-3-2-6-24-11/h2-3,6-8H,4-5H2,1H3,(H,19,23).
What are the key properties of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70787012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).