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

C17H18N6OS — CID 70692367

IUPACN-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C17H18N6OS/c24-16(14-11-25-17(21-14)13-5-6-19-22-13)20-12-3-1-2-4-15(12)23-9-7-18-8-10-23/h1-6,11,18H,7-10H2,(H,19,22)(H,20,24)
InChIKeyXKCVTPJGJTWTHL-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.20
Rot. Bonds4

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

N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 70692367) 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-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID70692367
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC NameN-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C17H18N6OS/c24-16(14-11-25-17(21-14)13-5-6-19-22-13)20-12-3-1-2-4-15(12)23-9-7-18-8-10-23/h1-6,11,18H,7-10H2,(H,19,22)(H,20,24)
InChIKeyXKCVTPJGJTWTHL-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

N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25095214
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
N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 70692368
N-(2-piperazin-1-ylphenyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole-4-carboxamide
CID 136254220
N-(2-piperazin-1-ylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole-4-carboxamide
CID 136254221
5-(1H-pyrazole-4-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71060735
N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14426403
[5-(2,4-Dimethyl-1,3-Thiazol-5-Yl)-1~{h}-Pyrazol-3-Yl]-(4-Phenylpiperazin-1-Yl)methanone
CID 30848794
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 42956259
[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 53605136
US20240174679, Example 1-11
CID 165130057

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 70692367) is N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccn[nH]2)n1.
What is the InChIKey of N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XKCVTPJGJTWTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-16(14-11-25-17(21-14)13-5-6-19-22-13)20-12-3-1-2-4-15(12)23-9-7-18-8-10-23/h1-6,11,18H,7-10H2,(H,19,22)(H,20,24).
What are the key properties of N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-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-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70692367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).