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

C13H21N5OS2 — CID 116673887

IUPAC4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCNCC2)sc1C(=O)NC1CCCSC1
InChIInChI=1S/C13H21N5OS2/c14-11-10(12(19)16-9-2-1-7-20-8-9)21-13(17-11)18-5-3-15-4-6-18/h9,15H,1-8,14H2,(H,16,19)
InChIKeyHNJBUZKIEVGBNU-UHFFFAOYSA-N
MW327.48 g/mol
LogP0.76
Rot. Bonds3

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

4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116673887) has the molecular formula C13H21N5OS2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID116673887
Molecular FormulaC13H21N5OS2
Molecular Weight327.48 g/mol
Exact Mass327.12
IUPAC Name4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCNCC2)sc1C(=O)NC1CCCSC1
InChIInChI=1S/C13H21N5OS2/c14-11-10(12(19)16-9-2-1-7-20-8-9)21-13(17-11)18-5-3-15-4-6-18/h9,15H,1-8,14H2,(H,16,19)
InChIKeyHNJBUZKIEVGBNU-UHFFFAOYSA-N
XLogP0.76
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-(2-acetamidoethyl)-4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116670168
4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
CID 116670151
4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668889
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 116668787
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663332
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673985
4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116672779
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-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 106434169
4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107290

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide (CID 116673887) is 4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide is Nc1nc(N2CCNCC2)sc1C(=O)NC1CCCSC1.
What is the InChIKey of 4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is HNJBUZKIEVGBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS2/c14-11-10(12(19)16-9-2-1-7-20-8-9)21-13(17-11)18-5-3-15-4-6-18/h9,15H,1-8,14H2,(H,16,19).
What are the key properties of 4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 327.48 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).