4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide

C16H24N4O3S — CID 22593968

IUPAC4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
SMILESCc1nc(C)c(C(=O)N2CCN(C(=O)CC(C)(C)C(N)=O)CC2)s1
InChIInChI=1S/C16H24N4O3S/c1-10-13(24-11(2)18-10)14(22)20-7-5-19(6-8-20)12(21)9-16(3,4)15(17)23/h5-9H2,1-4H3,(H2,17,23)
InChIKeyQLDHKISRAYJQTL-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.95
Rot. Bonds4

About 4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide

4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide (PubChem CID 22593968) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
PubChem CID22593968
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
SMILESCc1nc(C)c(C(=O)N2CCN(C(=O)CC(C)(C)C(N)=O)CC2)s1
InChIInChI=1S/C16H24N4O3S/c1-10-13(24-11(2)18-10)14(22)20-7-5-19(6-8-20)12(21)9-16(3,4)15(17)23/h5-9H2,1-4H3,(H2,17,23)
InChIKeyQLDHKISRAYJQTL-UHFFFAOYSA-N
XLogP0.95
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide?
The IUPAC name of 4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide (CID 22593968) is 4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide is Cc1nc(C)c(C(=O)N2CCN(C(=O)CC(C)(C)C(N)=O)CC2)s1.
What is the InChIKey of 4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide?
The InChIKey is QLDHKISRAYJQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-10-13(24-11(2)18-10)14(22)20-7-5-19(6-8-20)12(21)9-16(3,4)15(17)23/h5-9H2,1-4H3,(H2,17,23).
What are the key properties of 4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide?
4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide has a molecular weight of 352.46 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide is sourced from PubChem (CID 22593968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).