cyclohepten-1-yl(1,3-thiazol-5-yl)methanol

C11H15NOS — CID 106651556

IUPACcyclohepten-1-yl(1,3-thiazol-5-yl)methanol
SMILESOC(C1=CCCCCC1)c1cncs1
InChIInChI=1S/C11H15NOS/c13-11(10-7-12-8-14-10)9-5-3-1-2-4-6-9/h5,7-8,11,13H,1-4,6H2
InChIKeyYJJXMKGBBFXLGV-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.07
Rot. Bonds2

About cyclohepten-1-yl(1,3-thiazol-5-yl)methanol

cyclohepten-1-yl(1,3-thiazol-5-yl)methanol (PubChem CID 106651556) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is cyclohepten-1-yl(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Namecyclohepten-1-yl(1,3-thiazol-5-yl)methanol
PubChem CID106651556
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Namecyclohepten-1-yl(1,3-thiazol-5-yl)methanol
SMILESOC(C1=CCCCCC1)c1cncs1
InChIInChI=1S/C11H15NOS/c13-11(10-7-12-8-14-10)9-5-3-1-2-4-6-9/h5,7-8,11,13H,1-4,6H2
InChIKeyYJJXMKGBBFXLGV-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclohepten-1-yl(1,3-thiazol-5-yl)methanol 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

cyclohexen-1-yl(1,3-thiazol-5-yl)methanol
CID 106651555
N-[cycloocten-1-yl(1,3-thiazol-5-yl)methyl]ethanamine
CID 106654007
cyclohepten-1-yl(thiophen-2-yl)methanol
CID 62077908
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
(4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol
CID 106651291
cycloocten-1-yl-(4,5-dibromothiophen-2-yl)methanol
CID 106651691
cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol
CID 106657819
(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol
CID 106657822
cyclohexen-1-ylmethanediol
CID 21392290
(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol
CID 106657827
cyclopenten-1-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 55033988
cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol
CID 106657893

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(1,3-thiazol-5-yl)methanol?
The IUPAC name of cyclohepten-1-yl(1,3-thiazol-5-yl)methanol (CID 106651556) is cyclohepten-1-yl(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for cyclohepten-1-yl(1,3-thiazol-5-yl)methanol?
The canonical SMILES for cyclohepten-1-yl(1,3-thiazol-5-yl)methanol is OC(C1=CCCCCC1)c1cncs1.
What is the InChIKey of cyclohepten-1-yl(1,3-thiazol-5-yl)methanol?
The InChIKey is YJJXMKGBBFXLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c13-11(10-7-12-8-14-10)9-5-3-1-2-4-6-9/h5,7-8,11,13H,1-4,6H2.
What are the key properties of cyclohepten-1-yl(1,3-thiazol-5-yl)methanol?
cyclohepten-1-yl(1,3-thiazol-5-yl)methanol has a molecular weight of 209.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 106651556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).