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

C17H18N6OS — CID 70692368

IUPACN-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C17H18N6OS/c24-16(14-11-25-17(22-14)12-9-19-20-10-12)21-13-3-1-2-4-15(13)23-7-5-18-6-8-23/h1-4,9-11,18H,5-8H2,(H,19,20)(H,21,24)
InChIKeyXUUCJKFSSKKMFG-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.20
Rot. Bonds4

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

N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 70692368) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID70692368
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC NameN-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C17H18N6OS/c24-16(14-11-25-17(22-14)12-9-19-20-10-12)21-13-3-1-2-4-15(13)23-7-5-18-6-8-23/h1-4,9-11,18H,5-8H2,(H,19,20)(H,21,24)
InChIKeyXUUCJKFSSKKMFG-UHFFFAOYSA-N
XLogP2.20
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 70692368) is N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XUUCJKFSSKKMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-16(14-11-25-17(22-14)12-9-19-20-10-12)21-13-3-1-2-4-15(13)23-7-5-18-6-8-23/h1-4,9-11,18H,5-8H2,(H,19,20)(H,21,24).
What are the key properties of N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70692368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).