2-cyclohexyl-5-methyl-1,3,4-thiadiazole

C9H14N2S — CID 58853370

IUPAC2-cyclohexyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(C2CCCCC2)s1
InChIInChI=1S/C9H14N2S/c1-7-10-11-9(12-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyRCCCPNOPTBXNIY-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.89
Rot. Bonds1

About 2-cyclohexyl-5-methyl-1,3,4-thiadiazole

2-cyclohexyl-5-methyl-1,3,4-thiadiazole (PubChem CID 58853370) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-1,3,4-thiadiazole
PubChem CID58853370
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-cyclohexyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(C2CCCCC2)s1
InChIInChI=1S/C9H14N2S/c1-7-10-11-9(12-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyRCCCPNOPTBXNIY-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-cyclohexyl-5-methyl-1,3,4-thiadiazole (CID 58853370) is 2-cyclohexyl-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclohexyl-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclohexyl-5-methyl-1,3,4-thiadiazole is Cc1nnc(C2CCCCC2)s1.
What is the InChIKey of 2-cyclohexyl-5-methyl-1,3,4-thiadiazole?
The InChIKey is RCCCPNOPTBXNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-10-11-9(12-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-5-methyl-1,3,4-thiadiazole?
2-cyclohexyl-5-methyl-1,3,4-thiadiazole has a molecular weight of 182.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 58853370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).