3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one

C13H17N3O3S — CID 118196740

IUPAC3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one
SMILESCC1C(=O)OCC1N1CCN(C(=O)c2nccs2)CC1
InChIInChI=1S/C13H17N3O3S/c1-9-10(8-19-13(9)18)15-3-5-16(6-4-15)12(17)11-14-2-7-20-11/h2,7,9-10H,3-6,8H2,1H3
InChIKeyNAGKXMLZQOEAPB-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.46
Rot. Bonds2

About 3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one

3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one (PubChem CID 118196740) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one
PubChem CID118196740
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one
SMILESCC1C(=O)OCC1N1CCN(C(=O)c2nccs2)CC1
InChIInChI=1S/C13H17N3O3S/c1-9-10(8-19-13(9)18)15-3-5-16(6-4-15)12(17)11-14-2-7-20-11/h2,7,9-10H,3-6,8H2,1H3
InChIKeyNAGKXMLZQOEAPB-UHFFFAOYSA-N
XLogP0.46
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one
CID 118196684
(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 140750583
4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde
CID 110695914
N-[4-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
CID 122654217
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one
CID 122654184
1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654222
3-(2-chlorophenyl)-1-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 75292783
[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
CID 67289625
1-[4-(3,4-difluorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659528
(4-pyrimidin-5-ylphenyl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840043
[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 123497602

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one?
The IUPAC name of 3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one (CID 118196740) is 3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one?
The canonical SMILES for 3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one is CC1C(=O)OCC1N1CCN(C(=O)c2nccs2)CC1.
What is the InChIKey of 3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one?
The InChIKey is NAGKXMLZQOEAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-10(8-19-13(9)18)15-3-5-16(6-4-15)12(17)11-14-2-7-20-11/h2,7,9-10H,3-6,8H2,1H3.
What are the key properties of 3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one?
3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one has a molecular weight of 295.36 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 118196740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).