4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one

C17H15ClN4O2S — CID 56756835

IUPAC4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2csc3nc(-c4ccccc4Cl)cn23)CCCN1
InChIInChI=1S/C17H15ClN4O2S/c18-12-5-2-1-4-11(12)13-8-22-14(10-25-17(22)20-13)16(24)21-7-3-6-19-15(23)9-21/h1-2,4-5,8,10H,3,6-7,9H2,(H,19,23)
InChIKeyXSZUGNLDUNFGRM-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.68
Rot. Bonds2

About 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one

4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one (PubChem CID 56756835) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one
PubChem CID56756835
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2csc3nc(-c4ccccc4Cl)cn23)CCCN1
InChIInChI=1S/C17H15ClN4O2S/c18-12-5-2-1-4-11(12)13-8-22-14(10-25-17(22)20-13)16(24)21-7-3-6-19-15(23)9-21/h1-2,4-5,8,10H,3,6-7,9H2,(H,19,23)
InChIKeyXSZUGNLDUNFGRM-UHFFFAOYSA-N
XLogP2.68
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-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

[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone
CID 42596719
[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45195627
N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45217078
4-(1-chloroisoquinoline-3-carbonyl)-1,4-diazepan-2-one
CID 65366073
6-(2-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42530318
6-(2-chlorophenyl)-N-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 28955168
4-(2,6-dichloropyridine-3-carbonyl)-1,4-diazepan-2-one
CID 106994002
4-[2-(2,6-dichlorophenyl)acetyl]-1,4-diazepan-2-one
CID 62898920
4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 62897938
4-(5-chlorothiophene-2-carbonyl)-1,4-diazepan-2-one
CID 62896852
6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95195402
[4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270014

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one (CID 56756835) is 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one is O=C1CN(C(=O)c2csc3nc(-c4ccccc4Cl)cn23)CCCN1.
What is the InChIKey of 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one?
The InChIKey is XSZUGNLDUNFGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c18-12-5-2-1-4-11(12)13-8-22-14(10-25-17(22)20-13)16(24)21-7-3-6-19-15(23)9-21/h1-2,4-5,8,10H,3,6-7,9H2,(H,19,23).
What are the key properties of 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one?
4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one has a molecular weight of 374.85 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one is sourced from PubChem (CID 56756835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).