N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide

C17H18N6OS — CID 59332354

IUPACN-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-n2cccn2)n1
InChIInChI=1S/C17H18N6OS/c24-16(14-12-25-17(21-14)23-9-3-6-19-23)20-13-4-1-2-5-15(13)22-10-7-18-8-11-22/h1-6,9,12,18H,7-8,10-11H2,(H,20,24)
InChIKeyRDDHQIXOSCCFSR-UHFFFAOYSA-N
MW354.44 g/mol
LogP1.99
Rot. Bonds4

About N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide

N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 59332354) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
PubChem CID59332354
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC NameN-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-n2cccn2)n1
InChIInChI=1S/C17H18N6OS/c24-16(14-12-25-17(21-14)23-9-3-6-19-23)20-13-4-1-2-5-15(13)22-10-7-18-8-11-22/h1-6,9,12,18H,7-8,10-11H2,(H,20,24)
InChIKeyRDDHQIXOSCCFSR-UHFFFAOYSA-N
XLogP1.99
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide (CID 59332354) is N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-n2cccn2)n1.
What is the InChIKey of N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RDDHQIXOSCCFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-16(14-12-25-17(21-14)23-9-3-6-19-23)20-13-4-1-2-5-15(13)22-10-7-18-8-11-22/h1-6,9,12,18H,7-8,10-11H2,(H,20,24).
What are the key properties of N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide?
N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).