2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C20H13ClF2N4OS — CID 144595351

IUPAC2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3cccc(F)c3-c3cccc(F)c3Cl)n2)cn1
InChIInChI=1S/C20H13ClF2N4OS/c1-27-9-11(8-24-27)25-19(28)16-10-29-20(26-16)13-5-3-6-14(22)17(13)12-4-2-7-15(23)18(12)21/h2-10H,1H3,(H,25,28)
InChIKeyMHDGYYUQJNAUAR-UHFFFAOYSA-N
MW430.87 g/mol
LogP5.39
Rot. Bonds4

About 2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 144595351) has the molecular formula C20H13ClF2N4OS and a molecular weight of 430.87 g/mol. Its IUPAC name is 2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID144595351
Molecular FormulaC20H13ClF2N4OS
Molecular Weight430.87 g/mol
Exact Mass430.05
IUPAC Name2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3cccc(F)c3-c3cccc(F)c3Cl)n2)cn1
InChIInChI=1S/C20H13ClF2N4OS/c1-27-9-11(8-24-27)25-19(28)16-10-29-20(26-16)13-5-3-6-14(22)17(13)12-4-2-7-15(23)18(12)21/h2-10H,1H3,(H,25,28)
InChIKeyMHDGYYUQJNAUAR-UHFFFAOYSA-N
XLogP5.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.87
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-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 2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 144595351) is 2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2csc(-c3cccc(F)c3-c3cccc(F)c3Cl)n2)cn1.
What is the InChIKey of 2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MHDGYYUQJNAUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N4OS/c1-27-9-11(8-24-27)25-19(28)16-10-29-20(26-16)13-5-3-6-14(22)17(13)12-4-2-7-15(23)18(12)21/h2-10H,1H3,(H,25,28).
What are the key properties of 2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 430.87 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 144595351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).