cyclohexyl-(4-propylthiadiazol-5-yl)methanone

C12H18N2OS — CID 105076815

IUPACcyclohexyl-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)C1CCCCC1
InChIInChI=1S/C12H18N2OS/c1-2-6-10-12(16-14-13-10)11(15)9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKeyHULHUOOOWAMQSF-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.25
Rot. Bonds4

About cyclohexyl-(4-propylthiadiazol-5-yl)methanone

cyclohexyl-(4-propylthiadiazol-5-yl)methanone (PubChem CID 105076815) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is cyclohexyl-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-propylthiadiazol-5-yl)methanone
PubChem CID105076815
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Namecyclohexyl-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)C1CCCCC1
InChIInChI=1S/C12H18N2OS/c1-2-6-10-12(16-14-13-10)11(15)9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKeyHULHUOOOWAMQSF-UHFFFAOYSA-N
XLogP3.25
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of cyclohexyl-(4-propylthiadiazol-5-yl)methanone (CID 105076815) is cyclohexyl-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for cyclohexyl-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for cyclohexyl-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is HULHUOOOWAMQSF-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/h9H,2-8H2,1H3.
What are the key properties of cyclohexyl-(4-propylthiadiazol-5-yl)methanone?
cyclohexyl-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 238.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105076815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).