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

C23H23N7OS — CID 24968464

IUPAC2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2cc(-c3ccccc3)[nH]n2)n1
InChIInChI=1S/C23H23N7OS/c31-22(25-17-8-4-5-9-20(17)30-12-10-24-11-13-30)19-15-32-23(26-19)27-21-14-18(28-29-21)16-6-2-1-3-7-16/h1-9,14-15,24H,10-13H2,(H,25,31)(H2,26,27,28,29)
InChIKeyLGNXDJXJRVGNAT-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.94
Rot. Bonds6

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

2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24968464) has the molecular formula C23H23N7OS and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24968464
Molecular FormulaC23H23N7OS
Molecular Weight445.55 g/mol
Exact Mass445.17
IUPAC Name2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2cc(-c3ccccc3)[nH]n2)n1
InChIInChI=1S/C23H23N7OS/c31-22(25-17-8-4-5-9-20(17)30-12-10-24-11-13-30)19-15-32-23(26-19)27-21-14-18(28-29-21)16-6-2-1-3-7-16/h1-9,14-15,24H,10-13H2,(H,25,31)(H2,26,27,28,29)
InChIKeyLGNXDJXJRVGNAT-UHFFFAOYSA-N
XLogP3.94
TPSA97.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 24968464) is 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2cc(-c3ccccc3)[nH]n2)n1.
What is the InChIKey of 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LGNXDJXJRVGNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7OS/c31-22(25-17-8-4-5-9-20(17)30-12-10-24-11-13-30)19-15-32-23(26-19)27-21-14-18(28-29-21)16-6-2-1-3-7-16/h1-9,14-15,24H,10-13H2,(H,25,31)(H2,26,27,28,29).
What are the key properties of 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 3.94, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24968464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).