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

C24H25N7O2S — CID 24968117

IUPAC2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2cc(Nc3nc(C(=O)Nc4ccccc4N4CCNCC4)cs3)n[nH]2)cc1
InChIInChI=1S/C24H25N7O2S/c1-33-17-8-6-16(7-9-17)19-14-22(30-29-19)28-24-27-20(15-34-24)23(32)26-18-4-2-3-5-21(18)31-12-10-25-11-13-31/h2-9,14-15,25H,10-13H2,1H3,(H,26,32)(H2,27,28,29,30)
InChIKeyACYNADYUOBVZNX-UHFFFAOYSA-N
MW475.58 g/mol
LogP3.95
Rot. Bonds7

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

2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24968117) has the molecular formula C24H25N7O2S and a molecular weight of 475.58 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24968117
Molecular FormulaC24H25N7O2S
Molecular Weight475.58 g/mol
Exact Mass475.18
IUPAC Name2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2cc(Nc3nc(C(=O)Nc4ccccc4N4CCNCC4)cs3)n[nH]2)cc1
InChIInChI=1S/C24H25N7O2S/c1-33-17-8-6-16(7-9-17)19-14-22(30-29-19)28-24-27-20(15-34-24)23(32)26-18-4-2-3-5-21(18)31-12-10-25-11-13-31/h2-9,14-15,25H,10-13H2,1H3,(H,26,32)(H2,27,28,29,30)
InChIKeyACYNADYUOBVZNX-UHFFFAOYSA-N
XLogP3.95
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968464
2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71602900
2-(3,5-Dimethyl-pyrazol-1-yl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-acetamide
CID 650434
N-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 49792745
N-[4-[amino-(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 155539507
1-(6-(4-methoxyphenyl)pyridazin-3-yl)-N-(4-methylthiazol-2-yl)piperidine-4-carboxamide
CID 30866709
2,2,2-trifluoro-N-{1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazol-5-yl}acetamide
CID 1489580
N-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)-1H-pyrazol-5-yl}formamide
CID 1490028
N-{3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-yl}formamide
CID 1490069
N-{3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-yl}acetamide
CID 1490074
2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 1498213
2-[3-(4-Methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 1498270

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 24968117) is 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2cc(Nc3nc(C(=O)Nc4ccccc4N4CCNCC4)cs3)n[nH]2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ACYNADYUOBVZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2S/c1-33-17-8-6-16(7-9-17)19-14-22(30-29-19)28-24-27-20(15-34-24)23(32)26-18-4-2-3-5-21(18)31-12-10-25-11-13-31/h2-9,14-15,25H,10-13H2,1H3,(H,26,32)(H2,27,28,29,30).
What are the key properties of 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 475.58 g/mol, XLogP of 3.95, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24968117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).