2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C20H20N4OS — CID 25094945

IUPAC2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H20N4OS/c25-19(17-14-26-20(23-17)15-6-2-1-3-7-15)22-16-8-4-5-9-18(16)24-12-10-21-11-13-24/h1-9,14,21H,10-13H2,(H,22,25)
InChIKeyFTYPTPGIIWETQX-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.47
Rot. Bonds4

About 2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 25094945) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID25094945
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H20N4OS/c25-19(17-14-26-20(23-17)15-6-2-1-3-7-15)22-16-8-4-5-9-18(16)24-12-10-21-11-13-24/h1-9,14,21H,10-13H2,(H,22,25)
InChIKeyFTYPTPGIIWETQX-UHFFFAOYSA-N
XLogP3.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 25094945) is 2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FTYPTPGIIWETQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c25-19(17-14-26-20(23-17)15-6-2-1-3-7-15)22-16-8-4-5-9-18(16)24-12-10-21-11-13-24/h1-9,14,21H,10-13H2,(H,22,25).
What are the key properties of 2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25094945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).