4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one

C20H17N3O2S — CID 170715907

IUPAC4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)s2)CCN1
InChIInChI=1S/C20H17N3O2S/c24-16-13-23(12-11-21-16)20(25)19-22-17(14-7-3-1-4-8-14)18(26-19)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,24)
InChIKeyVUKVCIBQKXPECY-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.05
Rot. Bonds3

About 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one

4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one (PubChem CID 170715907) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one
PubChem CID170715907
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)s2)CCN1
InChIInChI=1S/C20H17N3O2S/c24-16-13-23(12-11-21-16)20(25)19-22-17(14-7-3-1-4-8-14)18(26-19)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,24)
InChIKeyVUKVCIBQKXPECY-UHFFFAOYSA-N
XLogP3.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 47123816
1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one
CID 50942916
4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one
CID 170715914
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615
4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
CID 80615710
4-(6-aminopyridine-2-carbonyl)piperazin-2-one;hydrochloride
CID 119998920
4-[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]piperazin-2-one
CID 31096197
4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one
CID 170716112
4-(3-aminothiophene-2-carbonyl)piperazin-2-one
CID 61090174
4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one
CID 135096385
4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one
CID 37338263
4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one
CID 175645929

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one?
The IUPAC name of 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one (CID 170715907) is 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)s2)CCN1.
What is the InChIKey of 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one?
The InChIKey is VUKVCIBQKXPECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-16-13-23(12-11-21-16)20(25)19-22-17(14-7-3-1-4-8-14)18(26-19)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,24).
What are the key properties of 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one?
4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one has a molecular weight of 363.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 170715907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).