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

C22H20N4OS2 — CID 25095480

IUPAC2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cc3ccccc3s2)n1
InChIInChI=1S/C22H20N4OS2/c27-21(24-16-6-2-3-7-18(16)26-11-9-23-10-12-26)17-14-28-22(25-17)20-13-15-5-1-4-8-19(15)29-20/h1-8,13-14,23H,9-12H2,(H,24,27)
InChIKeyKSUJCVFPHBXDGE-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.69
Rot. Bonds4

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

2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 25095480) has the molecular formula C22H20N4OS2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID25095480
Molecular FormulaC22H20N4OS2
Molecular Weight420.56 g/mol
Exact Mass420.11
IUPAC Name2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cc3ccccc3s2)n1
InChIInChI=1S/C22H20N4OS2/c27-21(24-16-6-2-3-7-18(16)26-11-9-23-10-12-26)17-14-28-22(25-17)20-13-15-5-1-4-8-19(15)29-20/h1-8,13-14,23H,9-12H2,(H,24,27)
InChIKeyKSUJCVFPHBXDGE-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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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956259
2-Phenyl-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 25094945
N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25095214
2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095216
2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095481
2-(1-benzothiophen-3-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095482
2-(1H-indol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095485
2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095741
2-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25096000
2-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25096003
N-(2-piperazin-1-ylphenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 70681810
N-[2-(piperazin-1-yl)phenyl]-2-(thiophen-3-yl)-1,3-thiazole-4-carboxamide
CID 70692366

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 25095480) is 2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cc3ccccc3s2)n1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KSUJCVFPHBXDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS2/c27-21(24-16-6-2-3-7-18(16)26-11-9-23-10-12-26)17-14-28-22(25-17)20-13-15-5-1-4-8-19(15)29-20/h1-8,13-14,23H,9-12H2,(H,24,27).
What are the key properties of 2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(1-benzothiophen-2-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-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25095480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).