4-(4-methylcyclohexyl)thiadiazole

C9H14N2S — CID 142147637

IUPAC4-(4-methylcyclohexyl)thiadiazole
SMILESCC1CCC(c2csnn2)CC1
InChIInChI=1S/C9H14N2S/c1-7-2-4-8(5-3-7)9-6-12-11-10-9/h6-8H,2-5H2,1H3
InChIKeyPDIOFDOPLWRVRB-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.83
Rot. Bonds1

About 4-(4-methylcyclohexyl)thiadiazole

4-(4-methylcyclohexyl)thiadiazole (PubChem CID 142147637) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)thiadiazole.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)thiadiazole
PubChem CID142147637
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name4-(4-methylcyclohexyl)thiadiazole
SMILESCC1CCC(c2csnn2)CC1
InChIInChI=1S/C9H14N2S/c1-7-2-4-8(5-3-7)9-6-12-11-10-9/h6-8H,2-5H2,1H3
InChIKeyPDIOFDOPLWRVRB-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)thiadiazole?
The IUPAC name of 4-(4-methylcyclohexyl)thiadiazole (CID 142147637) is 4-(4-methylcyclohexyl)thiadiazole.
What is the SMILES notation for 4-(4-methylcyclohexyl)thiadiazole?
The canonical SMILES for 4-(4-methylcyclohexyl)thiadiazole is CC1CCC(c2csnn2)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)thiadiazole?
The InChIKey is PDIOFDOPLWRVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-2-4-8(5-3-7)9-6-12-11-10-9/h6-8H,2-5H2,1H3.
What are the key properties of 4-(4-methylcyclohexyl)thiadiazole?
4-(4-methylcyclohexyl)thiadiazole has a molecular weight of 182.29 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)thiadiazole is sourced from PubChem (CID 142147637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).