2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C22H22N8OS — CID 59222344

IUPAC2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(Nc2cc(-c3ccccc3)[nH]n2)n1
InChIInChI=1S/C22H22N8OS/c31-21(25-17-13-24-7-6-19(17)30-10-8-23-9-11-30)18-14-32-22(26-18)27-20-12-16(28-29-20)15-4-2-1-3-5-15/h1-7,12-14,23H,8-11H2,(H,25,31)(H2,26,27,28,29)
InChIKeyACFAKBZLDLBTJZ-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.33
Rot. Bonds6

About 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 59222344) has the molecular formula C22H22N8OS and a molecular weight of 446.54 g/mol. Its IUPAC name is 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID59222344
Molecular FormulaC22H22N8OS
Molecular Weight446.54 g/mol
Exact Mass446.16
IUPAC Name2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(Nc2cc(-c3ccccc3)[nH]n2)n1
InChIInChI=1S/C22H22N8OS/c31-21(25-17-13-24-7-6-19(17)30-10-8-23-9-11-30)18-14-32-22(26-18)27-20-12-16(28-29-20)15-4-2-1-3-5-15/h1-7,12-14,23H,8-11H2,(H,25,31)(H2,26,27,28,29)
InChIKeyACFAKBZLDLBTJZ-UHFFFAOYSA-N
XLogP3.33
TPSA110.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-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-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 59222344) is 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(Nc2cc(-c3ccccc3)[nH]n2)n1.
What is the InChIKey of 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ACFAKBZLDLBTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8OS/c31-21(25-17-13-24-7-6-19(17)30-10-8-23-9-11-30)18-14-32-22(26-18)27-20-12-16(28-29-20)15-4-2-1-3-5-15/h1-7,12-14,23H,8-11H2,(H,25,31)(H2,26,27,28,29).
What are the key properties of 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 3.33, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59222344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).