[7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid

C15H16N2O3S — CID 22719553

IUPAC[7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid
SMILESCOc1ccc(C2=CCCCC2)c2sc(NC(=O)O)nc12
InChIInChI=1S/C15H16N2O3S/c1-20-11-8-7-10(9-5-3-2-4-6-9)13-12(11)16-14(21-13)17-15(18)19/h5,7-8H,2-4,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyLGRPLJCIMNQNOK-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.35
Rot. Bonds3

About [7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid

[7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid (PubChem CID 22719553) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is [7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid
PubChem CID22719553
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name[7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid
SMILESCOc1ccc(C2=CCCCC2)c2sc(NC(=O)O)nc12
InChIInChI=1S/C15H16N2O3S/c1-20-11-8-7-10(9-5-3-2-4-6-9)13-12(11)16-14(21-13)17-15(18)19/h5,7-8H,2-4,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyLGRPLJCIMNQNOK-UHFFFAOYSA-N
XLogP4.35
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid 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 [7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid?
The IUPAC name of [7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid (CID 22719553) is [7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid.
What is the SMILES notation for [7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid?
The canonical SMILES for [7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid is COc1ccc(C2=CCCCC2)c2sc(NC(=O)O)nc12.
What is the InChIKey of [7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid?
The InChIKey is LGRPLJCIMNQNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-11-8-7-10(9-5-3-2-4-6-9)13-12(11)16-14(21-13)17-15(18)19/h5,7-8H,2-4,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of [7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid?
[7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid has a molecular weight of 304.37 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid is sourced from PubChem (CID 22719553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).