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

C24H22N4OS2 — CID 25095741

IUPAC2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc(-c3ccccc3)s2)n1
InChIInChI=1S/C24H22N4OS2/c29-23(26-18-8-4-5-9-20(18)28-14-12-25-13-15-28)19-16-30-24(27-19)22-11-10-21(31-22)17-6-2-1-3-7-17/h1-11,16,25H,12-15H2,(H,26,29)
InChIKeyLPCLJEBTYGLTNV-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.20
Rot. Bonds5

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

2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 25095741) has the molecular formula C24H22N4OS2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID25095741
Molecular FormulaC24H22N4OS2
Molecular Weight446.60 g/mol
Exact Mass446.12
IUPAC Name2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc(-c3ccccc3)s2)n1
InChIInChI=1S/C24H22N4OS2/c29-23(26-18-8-4-5-9-20(18)28-14-12-25-13-15-28)19-16-30-24(27-19)22-11-10-21(31-22)17-6-2-1-3-7-17/h1-11,16,25H,12-15H2,(H,26,29)
InChIKeyLPCLJEBTYGLTNV-UHFFFAOYSA-N
XLogP5.20
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 25095741) is 2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc(-c3ccccc3)s2)n1.
What is the InChIKey of 2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LPCLJEBTYGLTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS2/c29-23(26-18-8-4-5-9-20(18)28-14-12-25-13-15-28)19-16-30-24(27-19)22-11-10-21(31-22)17-6-2-1-3-7-17/h1-11,16,25H,12-15H2,(H,26,29).
What are the key properties of 2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25095741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).