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

C24H25N7O2S — CID 71602900

IUPAC2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2cc(N)n(-c3nc(C(=O)Nc4ccccc4N4CCNCC4)cs3)n2)cc1
InChIInChI=1S/C24H25N7O2S/c1-33-17-8-6-16(7-9-17)19-14-22(25)31(29-19)24-28-20(15-34-24)23(32)27-18-4-2-3-5-21(18)30-12-10-26-11-13-30/h2-9,14-15,26H,10-13,25H2,1H3,(H,27,32)
InChIKeyXPORPGVGKXTFMC-UHFFFAOYSA-N
MW475.58 g/mol
LogP3.25
Rot. Bonds6

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

2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 71602900) has the molecular formula C24H25N7O2S and a molecular weight of 475.58 g/mol. Its IUPAC name is 2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID71602900
Molecular FormulaC24H25N7O2S
Molecular Weight475.58 g/mol
Exact Mass475.18
IUPAC Name2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2cc(N)n(-c3nc(C(=O)Nc4ccccc4N4CCNCC4)cs3)n2)cc1
InChIInChI=1S/C24H25N7O2S/c1-33-17-8-6-16(7-9-17)19-14-22(25)31(29-19)24-28-20(15-34-24)23(32)27-18-4-2-3-5-21(18)30-12-10-26-11-13-30/h2-9,14-15,26H,10-13,25H2,1H3,(H,27,32)
InChIKeyXPORPGVGKXTFMC-UHFFFAOYSA-N
XLogP3.25
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 71602900) is 2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2cc(N)n(-c3nc(C(=O)Nc4ccccc4N4CCNCC4)cs3)n2)cc1.
What is the InChIKey of 2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XPORPGVGKXTFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2S/c1-33-17-8-6-16(7-9-17)19-14-22(25)31(29-19)24-28-20(15-34-24)23(32)27-18-4-2-3-5-21(18)30-12-10-26-11-13-30/h2-9,14-15,26H,10-13,25H2,1H3,(H,27,32).
What are the key properties of 2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 475.58 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71602900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).