7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole

C14H15NOS — CID 91152765

IUPAC7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole
SMILESCOc1ccc(C2=CCCCC2)c2scnc12
InChIInChI=1S/C14H15NOS/c1-16-12-8-7-11(10-5-3-2-4-6-10)14-13(12)15-9-17-14/h5,7-9H,2-4,6H2,1H3
InChIKeyISIHAMCQBBSDOG-UHFFFAOYSA-N
MW245.35 g/mol
LogP4.26
Rot. Bonds2

About 7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole

7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole (PubChem CID 91152765) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole
PubChem CID91152765
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole
SMILESCOc1ccc(C2=CCCCC2)c2scnc12
InChIInChI=1S/C14H15NOS/c1-16-12-8-7-11(10-5-3-2-4-6-10)14-13(12)15-9-17-14/h5,7-9H,2-4,6H2,1H3
InChIKeyISIHAMCQBBSDOG-UHFFFAOYSA-N
XLogP4.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole 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-benzothiazole?
The IUPAC name of 7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole (CID 91152765) is 7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole.
What is the SMILES notation for 7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole?
The canonical SMILES for 7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole is COc1ccc(C2=CCCCC2)c2scnc12.
What is the InChIKey of 7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole?
The InChIKey is ISIHAMCQBBSDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-16-12-8-7-11(10-5-3-2-4-6-10)14-13(12)15-9-17-14/h5,7-9H,2-4,6H2,1H3.
What are the key properties of 7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole?
7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole has a molecular weight of 245.35 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazole is sourced from PubChem (CID 91152765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).