4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

C8H13N5OS — CID 116668857

IUPAC4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(N2CCNCC2)nc1N
InChIInChI=1S/C8H13N5OS/c9-6-5(7(10)14)15-8(12-6)13-3-1-11-2-4-13/h11H,1-4,9H2,(H2,10,14)
InChIKeyYLSULIIIOAHEMJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.77
Rot. Bonds2

About 4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116668857) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116668857
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC Name4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(N2CCNCC2)nc1N
InChIInChI=1S/C8H13N5OS/c9-6-5(7(10)14)15-8(12-6)13-3-1-11-2-4-13/h11H,1-4,9H2,(H2,10,14)
InChIKeyYLSULIIIOAHEMJ-UHFFFAOYSA-N
XLogP-0.77
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 116668787
N-(2-acetamidoethyl)-4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116670168
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673985
4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
CID 116670151
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663332
4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116672779
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673207
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116671747
4-amino-2-piperazin-1-yl-N-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
CID 116669529
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116666434
4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide
CID 116673887
4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116671944

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 116668857) is 4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is NC(=O)c1sc(N2CCNCC2)nc1N.
What is the InChIKey of 4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is YLSULIIIOAHEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c9-6-5(7(10)14)15-8(12-6)13-3-1-11-2-4-13/h11H,1-4,9H2,(H2,10,14).
What are the key properties of 4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 227.29 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).