1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C10H15N3OS — CID 18682296

IUPAC1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNCC1c1ncc(C)s1
InChIInChI=1S/C10H15N3OS/c1-7-5-12-10(15-7)9-6-11-3-4-13(9)8(2)14/h5,9,11H,3-4,6H2,1-2H3
InChIKeyPMJAGOUKSMBJPA-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.94
Rot. Bonds1

About 1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone

1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 18682296) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID18682296
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNCC1c1ncc(C)s1
InChIInChI=1S/C10H15N3OS/c1-7-5-12-10(15-7)9-6-11-3-4-13(9)8(2)14/h5,9,11H,3-4,6H2,1-2H3
InChIKeyPMJAGOUKSMBJPA-UHFFFAOYSA-N
XLogP0.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide
CID 92633115
1-{4-[(1,3-Thiazol-5-ylmethyl)amino]piperidin-1-yl}ethan-1-one
CID 62758882
N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide
CID 71868531
N,N-dimethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 86789745
(2S)-2-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
CID 91659790
tert-butyl (3S)-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate
CID 97612989
(2S)-N-(2,2-difluoroethyl)-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 137991658
(3S)-3-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazin-2-one
CID 164632613
N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 88882440
N-((1r,4r)-4-aminocyclohexyl)-5-methylthiazole-2-carboxamide
CID 132228031
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60958351

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 18682296) is 1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCNCC1c1ncc(C)s1.
What is the InChIKey of 1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is PMJAGOUKSMBJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-5-12-10(15-7)9-6-11-3-4-13(9)8(2)14/h5,9,11H,3-4,6H2,1-2H3.
What are the key properties of 1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 225.32 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 18682296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).