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

C10H18N6O3S2 — CID 116670151

IUPAC4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCNCC2)sc1C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C10H18N6O3S2/c11-8-7(9(17)14-3-6-21(12,18)19)20-10(15-8)16-4-1-13-2-5-16/h13H,1-6,11H2,(H,14,17)(H2,12,18,19)
InChIKeyHFROKKJZFMWAOT-UHFFFAOYSA-N
MW334.43 g/mol
LogP-1.85
Rot. Bonds5

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

4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116670151) has the molecular formula C10H18N6O3S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116670151
Molecular FormulaC10H18N6O3S2
Molecular Weight334.43 g/mol
Exact Mass334.09
IUPAC Name4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCNCC2)sc1C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C10H18N6O3S2/c11-8-7(9(17)14-3-6-21(12,18)19)20-10(15-8)16-4-1-13-2-5-16/h13H,1-6,11H2,(H,14,17)(H2,12,18,19)
InChIKeyHFROKKJZFMWAOT-UHFFFAOYSA-N
XLogP-1.85
TPSA143.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-acetamidoethyl)-4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116670168
4-amino-2-piperazin-1-yl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 106434169
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-(thiolan-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 107299087
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668857
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673985
4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668889
4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116672779
4-amino-N-(3-hydroxypropyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665451
4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide
CID 116673887
4-amino-N-(5-amino-5-oxopentyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106242065
2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate
CID 116672202

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide (CID 116670151) is 4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide is Nc1nc(N2CCNCC2)sc1C(=O)NCCS(N)(=O)=O.
What is the InChIKey of 4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HFROKKJZFMWAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3S2/c11-8-7(9(17)14-3-6-21(12,18)19)20-10(15-8)16-4-1-13-2-5-16/h13H,1-6,11H2,(H,14,17)(H2,12,18,19).
What are the key properties of 4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 334.43 g/mol, XLogP of -1.85, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).