N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

C9H14N4OS — CID 83579539

IUPACN-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C9H14N4OS/c1-10-8(14)7-6-12-9(15-7)13-4-2-11-3-5-13/h6,11H,2-5H2,1H3,(H,10,14)
InChIKeyKPAYFHPLBMJTAU-UHFFFAOYSA-N
MW226.30 g/mol
LogP-0.09
Rot. Bonds2

About N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 83579539) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID83579539
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C9H14N4OS/c1-10-8(14)7-6-12-9(15-7)13-4-2-11-3-5-13/h6,11H,2-5H2,1H3,(H,10,14)
InChIKeyKPAYFHPLBMJTAU-UHFFFAOYSA-N
XLogP-0.09
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11558091
2-(4-Methyl-piperazin-1-yl)-thiazole-5-carboxylic acid hydroxyamide
CID 11572286
2-(Methylamino)thiazole-5-carboxamide
CID 56609316
2-amino-N-methyl-1,3-thiazole-5-carboxamide
CID 59600355
2-ethyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47427170
2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 75390612
2-(ethylamino)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 84590724
2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525682
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
5-{[4-(Cyclobutylmethyl)piperazin-1-yl]carbonyl}-1,3-thiazol-2-amine
CID 124211885
4-[(2-Amino-1,3-thiazol-5-yl)carbonyl]-1-butylpiperazin-2-one
CID 124215181
(2-amino-1,3-thiazol-5-yl)-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 125525751

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 83579539) is N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(N2CCNCC2)s1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KPAYFHPLBMJTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-10-8(14)7-6-12-9(15-7)13-4-2-11-3-5-13/h6,11H,2-5H2,1H3,(H,10,14).
What are the key properties of N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 226.30 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 83579539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).