2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide

C22H19F2N5OS — CID 45280698

IUPAC2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide
SMILESCC(C)c1sc(-c2cnn(C)c2)nc1-c1ccc(NC(=O)c2ccc(F)cc2F)nc1
InChIInChI=1S/C22H19F2N5OS/c1-12(2)20-19(28-22(31-20)14-10-26-29(3)11-14)13-4-7-18(25-9-13)27-21(30)16-6-5-15(23)8-17(16)24/h4-12H,1-3H3,(H,25,27,30)
InChIKeyJMWCSGUEXIJTQY-UHFFFAOYSA-N
MW439.49 g/mol
LogP5.26
Rot. Bonds5

About 2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide

2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide (PubChem CID 45280698) has the molecular formula C22H19F2N5OS and a molecular weight of 439.49 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide
PubChem CID45280698
Molecular FormulaC22H19F2N5OS
Molecular Weight439.49 g/mol
Exact Mass439.13
IUPAC Name2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide
SMILESCC(C)c1sc(-c2cnn(C)c2)nc1-c1ccc(NC(=O)c2ccc(F)cc2F)nc1
InChIInChI=1S/C22H19F2N5OS/c1-12(2)20-19(28-22(31-20)14-10-26-29(3)11-14)13-4-7-18(25-9-13)27-21(30)16-6-5-15(23)8-17(16)24/h4-12H,1-3H3,(H,25,27,30)
InChIKeyJMWCSGUEXIJTQY-UHFFFAOYSA-N
XLogP5.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide 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 2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide (CID 45280698) is 2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide is CC(C)c1sc(-c2cnn(C)c2)nc1-c1ccc(NC(=O)c2ccc(F)cc2F)nc1.
What is the InChIKey of 2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide?
The InChIKey is JMWCSGUEXIJTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5OS/c1-12(2)20-19(28-22(31-20)14-10-26-29(3)11-14)13-4-7-18(25-9-13)27-21(30)16-6-5-15(23)8-17(16)24/h4-12H,1-3H3,(H,25,27,30).
What are the key properties of 2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide?
2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide has a molecular weight of 439.49 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 45280698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).