cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol

C12H18N2OS — CID 106657927

IUPACcyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)C1=CCCCC1
InChIInChI=1S/C12H18N2OS/c1-2-6-10-12(16-14-13-10)11(15)9-7-4-3-5-8-9/h7,11,15H,2-6,8H2,1H3
InChIKeyDALKPTRNAHQZAR-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.02
Rot. Bonds4

About cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol

cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol (PubChem CID 106657927) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol
PubChem CID106657927
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Namecyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)C1=CCCCC1
InChIInChI=1S/C12H18N2OS/c1-2-6-10-12(16-14-13-10)11(15)9-7-4-3-5-8-9/h7,11,15H,2-6,8H2,1H3
InChIKeyDALKPTRNAHQZAR-UHFFFAOYSA-N
XLogP3.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[cycloocten-1-yl-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 106656610
(4-tert-butylthiadiazol-5-yl)-(cyclohexen-1-yl)methanol
CID 106657926
cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine
CID 106657215
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
(4-propylthiadiazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097071
(3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105099534
furan-2-yl-(4-propylthiadiazol-5-yl)methanol
CID 105097375
cyclohexen-1-ylmethanediol
CID 21392290
2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105114699
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
(2-ethylpyrazol-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105098198

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol?
The IUPAC name of cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol (CID 106657927) is cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol.
What is the SMILES notation for cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol?
The canonical SMILES for cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol is CCCc1nnsc1C(O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol?
The InChIKey is DALKPTRNAHQZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-6-10-12(16-14-13-10)11(15)9-7-4-3-5-8-9/h7,11,15H,2-6,8H2,1H3.
What are the key properties of cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol?
cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol has a molecular weight of 238.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol is sourced from PubChem (CID 106657927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).