4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one

C17H19N3O2S — CID 36758301

IUPAC4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
SMILESCC(C)c1ccc(-c2nc(C(=O)N3CCNC(=O)C3)cs2)cc1
InChIInChI=1S/C17H19N3O2S/c1-11(2)12-3-5-13(6-4-12)16-19-14(10-23-16)17(22)20-8-7-18-15(21)9-20/h3-6,10-11H,7-9H2,1-2H3,(H,18,21)
InChIKeyGMZMJLBVZIOJMV-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.51
Rot. Bonds3

About 4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one

4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one (PubChem CID 36758301) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
PubChem CID36758301
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
SMILESCC(C)c1ccc(-c2nc(C(=O)N3CCNC(=O)C3)cs2)cc1
InChIInChI=1S/C17H19N3O2S/c1-11(2)12-3-5-13(6-4-12)16-19-14(10-23-16)17(22)20-8-7-18-15(21)9-20/h3-6,10-11H,7-9H2,1-2H3,(H,18,21)
InChIKeyGMZMJLBVZIOJMV-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.51
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
(3-aminopyrrolidin-1-yl)-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone
CID 75513720
(4-methylpiperidin-1-yl)-[1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
CID 55950587
1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167775
5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117889
[4-(methylaminomethyl)piperidin-1-yl]-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119546701
piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119402859
4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 66378570
ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 36710487
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 120809654
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 119448939
4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 62897938

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one?
The IUPAC name of 4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one (CID 36758301) is 4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one is CC(C)c1ccc(-c2nc(C(=O)N3CCNC(=O)C3)cs2)cc1.
What is the InChIKey of 4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one?
The InChIKey is GMZMJLBVZIOJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(2)12-3-5-13(6-4-12)16-19-14(10-23-16)17(22)20-8-7-18-15(21)9-20/h3-6,10-11H,7-9H2,1-2H3,(H,18,21).
What are the key properties of 4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one?
4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one has a molecular weight of 329.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 36758301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).