4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one

C11H15N3O2S — CID 126825030

IUPAC4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one
SMILESCc1cc(C(=O)N2CCC(=O)N(C)CC2)ns1
InChIInChI=1S/C11H15N3O2S/c1-8-7-9(12-17-8)11(16)14-4-3-10(15)13(2)5-6-14/h7H,3-6H2,1-2H3
InChIKeyBQWVBEMBTVWFNS-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.76
Rot. Bonds1

About 4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one

4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one (PubChem CID 126825030) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one
PubChem CID126825030
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one
SMILESCc1cc(C(=O)N2CCC(=O)N(C)CC2)ns1
InChIInChI=1S/C11H15N3O2S/c1-8-7-9(12-17-8)11(16)14-4-3-10(15)13(2)5-6-14/h7H,3-6H2,1-2H3
InChIKeyBQWVBEMBTVWFNS-UHFFFAOYSA-N
XLogP0.76
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

(5-methyl-1,2-thiazol-3-yl)-morpholin-4-ylmethanone
CID 84576851
(3-methylpiperidin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
CID 84577036
3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one
CID 168901457
4-methyl-1-(2,3,4,5-tetrafluorobenzoyl)-1,4-diazepan-5-one
CID 126825028
(5-methyl-1,2-thiazol-3-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 154857579
[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
CID 136536784
4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one
CID 74232399
1,3-dimethyl-4-(4-methyl-5-oxo-1,4-diazepane-1-carbonyl)quinolin-2-one
CID 167986126
4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 42331686
2,2-dimethyl-1-(5-methyl-1,2-thiazol-3-yl)propan-1-one
CID 164705767
1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-4-methyl-1,4-diazepan-5-one
CID 136554095
ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one
CID 171811240

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one (CID 126825030) is 4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one is Cc1cc(C(=O)N2CCC(=O)N(C)CC2)ns1.
What is the InChIKey of 4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one?
The InChIKey is BQWVBEMBTVWFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8-7-9(12-17-8)11(16)14-4-3-10(15)13(2)5-6-14/h7H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one?
4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one has a molecular weight of 253.33 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 126825030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).