3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one

C10H13N3O2S — CID 63090398

IUPAC3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one
SMILESCc1nc(C(=O)N2CCNC(=O)C2C)cs1
InChIInChI=1S/C10H13N3O2S/c1-6-9(14)11-3-4-13(6)10(15)8-5-16-7(2)12-8/h5-6H,3-4H2,1-2H3,(H,11,14)
InChIKeyOKXXBNUUNVZAQW-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.41
Rot. Bonds1

About 3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one

3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one (PubChem CID 63090398) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one
PubChem CID63090398
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one
SMILESCc1nc(C(=O)N2CCNC(=O)C2C)cs1
InChIInChI=1S/C10H13N3O2S/c1-6-9(14)11-3-4-13(6)10(15)8-5-16-7(2)12-8/h5-6H,3-4H2,1-2H3,(H,11,14)
InChIKeyOKXXBNUUNVZAQW-UHFFFAOYSA-N
XLogP0.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 63608011
5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685364
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
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3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one
CID 63607427
4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
CID 63607605
4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 62897938
4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one
CID 171677198
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199129
(2-methyl-1,3-thiazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 65198464
4-acetyl-3-methylpiperazin-2-one
CID 13190467

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one (CID 63090398) is 3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one is Cc1nc(C(=O)N2CCNC(=O)C2C)cs1.
What is the InChIKey of 3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one?
The InChIKey is OKXXBNUUNVZAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-9(14)11-3-4-13(6)10(15)8-5-16-7(2)12-8/h5-6H,3-4H2,1-2H3,(H,11,14).
What are the key properties of 3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one?
3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one has a molecular weight of 239.30 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 63090398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).