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

C14H13N3O2S — CID 47123816

IUPAC4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2csc(-c3ccccc3)n2)CCN1
InChIInChI=1S/C14H13N3O2S/c18-12-8-17(7-6-15-12)14(19)11-9-20-13(16-11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,15,18)
InChIKeyUJCOODUFYMAPAQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.38
Rot. Bonds2

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

4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one (PubChem CID 47123816) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one
PubChem CID47123816
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2csc(-c3ccccc3)n2)CCN1
InChIInChI=1S/C14H13N3O2S/c18-12-8-17(7-6-15-12)14(19)11-9-20-13(16-11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,15,18)
InChIKeyUJCOODUFYMAPAQ-UHFFFAOYSA-N
XLogP1.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 36758301
(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119580533
4-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 90509889
4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 66378570
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one
CID 170715914
4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one
CID 170715907
4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 90510333
4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 62897938
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 58924870

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one (CID 47123816) is 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2csc(-c3ccccc3)n2)CCN1.
What is the InChIKey of 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one?
The InChIKey is UJCOODUFYMAPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-12-8-17(7-6-15-12)14(19)11-9-20-13(16-11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,15,18).
What are the key properties of 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one?
4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one has a molecular weight of 287.34 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 47123816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).