cyclohexyl(thiadiazol-4-yl)methanone

C9H12N2OS — CID 105076910

IUPACcyclohexyl(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)C1CCCCC1
InChIInChI=1S/C9H12N2OS/c12-9(8-6-13-11-10-8)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyYHFHXNSNQLPLBN-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.30
Rot. Bonds2

About cyclohexyl(thiadiazol-4-yl)methanone

cyclohexyl(thiadiazol-4-yl)methanone (PubChem CID 105076910) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is cyclohexyl(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(thiadiazol-4-yl)methanone
PubChem CID105076910
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Namecyclohexyl(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)C1CCCCC1
InChIInChI=1S/C9H12N2OS/c12-9(8-6-13-11-10-8)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyYHFHXNSNQLPLBN-UHFFFAOYSA-N
XLogP2.30
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(thiadiazol-4-yl)methanone?
The IUPAC name of cyclohexyl(thiadiazol-4-yl)methanone (CID 105076910) is cyclohexyl(thiadiazol-4-yl)methanone.
What is the SMILES notation for cyclohexyl(thiadiazol-4-yl)methanone?
The canonical SMILES for cyclohexyl(thiadiazol-4-yl)methanone is O=C(c1csnn1)C1CCCCC1.
What is the InChIKey of cyclohexyl(thiadiazol-4-yl)methanone?
The InChIKey is YHFHXNSNQLPLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9(8-6-13-11-10-8)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of cyclohexyl(thiadiazol-4-yl)methanone?
cyclohexyl(thiadiazol-4-yl)methanone has a molecular weight of 196.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(thiadiazol-4-yl)methanone is sourced from PubChem (CID 105076910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).