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

C18H19N5OS2 — CID 134535540

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1csc(N2CCNCC2)n1
InChIInChI=1S/C18H19N5OS2/c19-13-4-3-12(16-2-1-9-25-16)10-14(13)21-17(24)15-11-26-18(22-15)23-7-5-20-6-8-23/h1-4,9-11,20H,5-8,19H2,(H,21,24)
InChIKeyQWVXHDVZQFOMOE-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.12
Rot. Bonds4

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

N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 134535540) has the molecular formula C18H19N5OS2 and a molecular weight of 385.52 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide
PubChem CID134535540
Molecular FormulaC18H19N5OS2
Molecular Weight385.52 g/mol
Exact Mass385.10
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1csc(N2CCNCC2)n1
InChIInChI=1S/C18H19N5OS2/c19-13-4-3-12(16-2-1-9-25-16)10-14(13)21-17(24)15-11-26-18(22-15)23-7-5-20-6-8-23/h1-4,9-11,20H,5-8,19H2,(H,21,24)
InChIKeyQWVXHDVZQFOMOE-UHFFFAOYSA-N
XLogP3.12
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide (CID 134535540) is N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1csc(N2CCNCC2)n1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is QWVXHDVZQFOMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS2/c19-13-4-3-12(16-2-1-9-25-16)10-14(13)21-17(24)15-11-26-18(22-15)23-7-5-20-6-8-23/h1-4,9-11,20H,5-8,19H2,(H,21,24).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 385.52 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134535540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).