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

C18H18N4OS2 — CID 25095214

IUPACN-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C18H18N4OS2/c23-17(14-12-25-18(21-14)16-6-3-11-24-16)20-13-4-1-2-5-15(13)22-9-7-19-8-10-22/h1-6,11-12,19H,7-10H2,(H,20,23)
InChIKeyHNSQYHZQAVDPGG-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.53
Rot. Bonds4

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

N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 25095214) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID25095214
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC NameN-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C18H18N4OS2/c23-17(14-12-25-18(21-14)16-6-3-11-24-16)20-13-4-1-2-5-15(13)22-9-7-19-8-10-22/h1-6,11-12,19H,7-10H2,(H,20,23)
InChIKeyHNSQYHZQAVDPGG-UHFFFAOYSA-N
XLogP3.53
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 25095214) is N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HNSQYHZQAVDPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c23-17(14-12-25-18(21-14)16-6-3-11-24-16)20-13-4-1-2-5-15(13)22-9-7-19-8-10-22/h1-6,11-12,19H,7-10H2,(H,20,23).
What are the key properties of N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25095214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).