5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C15H12F3N5OS — CID 58464935

IUPAC5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CCF)c1
InChIInChI=1S/C15H12F3N5OS/c16-4-5-23-7-8(6-20-23)21-14(24)12-13(19)25-15(22-12)11-9(17)2-1-3-10(11)18/h1-3,6-7H,4-5,19H2,(H,21,24)
InChIKeyXCFKWUCNYGYTAY-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.09
Rot. Bonds5

About 5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 58464935) has the molecular formula C15H12F3N5OS and a molecular weight of 367.36 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID58464935
Molecular FormulaC15H12F3N5OS
Molecular Weight367.36 g/mol
Exact Mass367.07
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CCF)c1
InChIInChI=1S/C15H12F3N5OS/c16-4-5-23-7-8(6-20-23)21-14(24)12-13(19)25-15(22-12)11-9(17)2-1-3-10(11)18/h1-3,6-7H,4-5,19H2,(H,21,24)
InChIKeyXCFKWUCNYGYTAY-UHFFFAOYSA-N
XLogP3.09
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-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 5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 58464935) is 5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CCF)c1.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is XCFKWUCNYGYTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5OS/c16-4-5-23-7-8(6-20-23)21-14(24)12-13(19)25-15(22-12)11-9(17)2-1-3-10(11)18/h1-3,6-7H,4-5,19H2,(H,21,24).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-[1-(2-fluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58464935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).