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

C22H20N4OS2 — CID 25095482

IUPAC2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2csc3ccccc23)n1
InChIInChI=1S/C22H20N4OS2/c27-21(24-17-6-2-3-7-19(17)26-11-9-23-10-12-26)18-14-29-22(25-18)16-13-28-20-8-4-1-5-15(16)20/h1-8,13-14,23H,9-12H2,(H,24,27)
InChIKeyLMSQAXLXANNPDC-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.69
Rot. Bonds4

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

2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 25095482) has the molecular formula C22H20N4OS2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID25095482
Molecular FormulaC22H20N4OS2
Molecular Weight420.56 g/mol
Exact Mass420.11
IUPAC Name2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2csc3ccccc23)n1
InChIInChI=1S/C22H20N4OS2/c27-21(24-17-6-2-3-7-19(17)26-11-9-23-10-12-26)18-14-29-22(25-18)16-13-28-20-8-4-1-5-15(16)20/h1-8,13-14,23H,9-12H2,(H,24,27)
InChIKeyLMSQAXLXANNPDC-UHFFFAOYSA-N
XLogP4.69
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 25095482) is 2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2csc3ccccc23)n1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LMSQAXLXANNPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS2/c27-21(24-17-6-2-3-7-19(17)26-11-9-23-10-12-26)18-14-29-22(25-18)16-13-28-20-8-4-1-5-15(16)20/h1-8,13-14,23H,9-12H2,(H,24,27).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25095482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).