N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide

C15H10ClF3N4OS — CID 87147723

IUPACN-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(N(C=O)c2ccccc2Cl)s1
InChIInChI=1S/C15H10ClF3N4OS/c1-22-11(6-13(21-22)15(17,18)19)12-7-20-14(25-12)23(8-24)10-5-3-2-4-9(10)16/h2-8H,1H3
InChIKeyPNQUZGVDEMJVAX-UHFFFAOYSA-N
MW386.79 g/mol
LogP4.51
Rot. Bonds4

About N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide

N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide (PubChem CID 87147723) has the molecular formula C15H10ClF3N4OS and a molecular weight of 386.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide
PubChem CID87147723
Molecular FormulaC15H10ClF3N4OS
Molecular Weight386.79 g/mol
Exact Mass386.02
IUPAC NameN-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(N(C=O)c2ccccc2Cl)s1
InChIInChI=1S/C15H10ClF3N4OS/c1-22-11(6-13(21-22)15(17,18)19)12-7-20-14(25-12)23(8-24)10-5-3-2-4-9(10)16/h2-8H,1H3
InChIKeyPNQUZGVDEMJVAX-UHFFFAOYSA-N
XLogP4.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide 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-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide (CID 87147723) is N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide is Cn1nc(C(F)(F)F)cc1-c1cnc(N(C=O)c2ccccc2Cl)s1.
What is the InChIKey of N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide?
The InChIKey is PNQUZGVDEMJVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4OS/c1-22-11(6-13(21-22)15(17,18)19)12-7-20-14(25-12)23(8-24)10-5-3-2-4-9(10)16/h2-8H,1H3.
What are the key properties of N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide?
N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide has a molecular weight of 386.79 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 87147723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).