N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide

C15H15ClN4O2S — CID 46969162

IUPACN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide
SMILESCOc1cc2sc(NC(=O)CCCn3ccnc3)nc2cc1Cl
InChIInChI=1S/C15H15ClN4O2S/c1-22-12-8-13-11(7-10(12)16)18-15(23-13)19-14(21)3-2-5-20-6-4-17-9-20/h4,6-9H,2-3,5H2,1H3,(H,18,19,21)
InChIKeyVUMUIWOZNVKUFH-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.57
Rot. Bonds6

About N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide

N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide (PubChem CID 46969162) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide
PubChem CID46969162
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC NameN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide
SMILESCOc1cc2sc(NC(=O)CCCn3ccnc3)nc2cc1Cl
InChIInChI=1S/C15H15ClN4O2S/c1-22-12-8-13-11(7-10(12)16)18-15(23-13)19-14(21)3-2-5-20-6-4-17-9-20/h4,6-9H,2-3,5H2,1H3,(H,18,19,21)
InChIKeyVUMUIWOZNVKUFH-UHFFFAOYSA-N
XLogP3.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide 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

N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 953037
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 952889
N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
CID 11558534
1-(3-amino-3-oxopropyl)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 46971683
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549306
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)acetamide
CID 40614059
2-(4-butan-2-ylphenoxy)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 46742320
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7543023
[2-(8-aminooctanoylamino)-1,3-benzothiazol-6-yl] 4-(3-imidazol-1-ylpropylamino)benzenesulfonate;hydrochloride
CID 11512778
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 3582023
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3332338

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide?
The IUPAC name of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide (CID 46969162) is N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide is COc1cc2sc(NC(=O)CCCn3ccnc3)nc2cc1Cl.
What is the InChIKey of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide?
The InChIKey is VUMUIWOZNVKUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c1-22-12-8-13-11(7-10(12)16)18-15(23-13)19-14(21)3-2-5-20-6-4-17-9-20/h4,6-9H,2-3,5H2,1H3,(H,18,19,21).
What are the key properties of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide?
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide has a molecular weight of 350.83 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 46969162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).