3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide

C15H14N4O2S — CID 139369130

IUPAC3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1CC(Oc2cccc3scnc23)C1
InChIInChI=1S/C15H14N4O2S/c20-15(18-13-4-5-17-19-13)9-6-10(7-9)21-11-2-1-3-12-14(11)16-8-22-12/h1-5,8-10H,6-7H2,(H2,17,18,19,20)
InChIKeyFDLRMIQFDZZLPX-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.82
Rot. Bonds4

About 3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide

3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide (PubChem CID 139369130) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide
PubChem CID139369130
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1CC(Oc2cccc3scnc23)C1
InChIInChI=1S/C15H14N4O2S/c20-15(18-13-4-5-17-19-13)9-6-10(7-9)21-11-2-1-3-12-14(11)16-8-22-12/h1-5,8-10H,6-7H2,(H2,17,18,19,20)
InChIKeyFDLRMIQFDZZLPX-UHFFFAOYSA-N
XLogP2.82
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide (CID 139369130) is 3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide is O=C(Nc1ccn[nH]1)C1CC(Oc2cccc3scnc23)C1.
What is the InChIKey of 3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide?
The InChIKey is FDLRMIQFDZZLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-15(18-13-4-5-17-19-13)9-6-10(7-9)21-11-2-1-3-12-14(11)16-8-22-12/h1-5,8-10H,6-7H2,(H2,17,18,19,20).
What are the key properties of 3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide?
3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 139369130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).