3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide

C15H14N4O2S2 — CID 139369096

IUPAC3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide
SMILESCc1nnc(NC(=O)C2CC(Oc3cccc4scnc34)C2)s1
InChIInChI=1S/C15H14N4O2S2/c1-8-18-19-15(23-8)17-14(20)9-5-10(6-9)21-11-3-2-4-12-13(11)16-7-22-12/h2-4,7,9-10H,5-6H2,1H3,(H,17,19,20)
InChIKeyBMRBIBQIXPYBHE-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.25
Rot. Bonds4

About 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide

3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide (PubChem CID 139369096) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide
PubChem CID139369096
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide
SMILESCc1nnc(NC(=O)C2CC(Oc3cccc4scnc34)C2)s1
InChIInChI=1S/C15H14N4O2S2/c1-8-18-19-15(23-8)17-14(20)9-5-10(6-9)21-11-3-2-4-12-13(11)16-7-22-12/h2-4,7,9-10H,5-6H2,1H3,(H,17,19,20)
InChIKeyBMRBIBQIXPYBHE-UHFFFAOYSA-N
XLogP3.25
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide 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 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide (CID 139369096) is 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide is Cc1nnc(NC(=O)C2CC(Oc3cccc4scnc34)C2)s1.
What is the InChIKey of 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide?
The InChIKey is BMRBIBQIXPYBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-8-18-19-15(23-8)17-14(20)9-5-10(6-9)21-11-3-2-4-12-13(11)16-7-22-12/h2-4,7,9-10H,5-6H2,1H3,(H,17,19,20).
What are the key properties of 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide?
3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 139369096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).