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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Related Compounds

2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59332253
N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332354
(2S)-3-phenyl-N-[3-(1H-pyrazol-4-yl)phenyl]-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67495836
(2S)-N-(3-(1H-pyrazol-3-yl)phenyl)-3-phenyl-2-(thiazol-4-ylmethylamino)propanamide
CID 67496810
N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 70692367
N-(2-piperazin-1-ylphenyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole-4-carboxamide
CID 136254220
N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 46889199
5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
CID 46889216
(2S)-N-[2-oxo-5-(1H-pyrazol-5-yl)-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 136232856
N-[2-(1-Piperazinyl)phenyl]-2-(3-pyridinyl)-4-thiazolecarboxamide
CID 70681811
N-(2-piperazin-1-ylphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 70692369
N-(2-piperazin-1-ylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole-4-carboxamide
CID 136254221

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).