2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole

C11H18N2S — CID 71131073

IUPAC2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C2CCCCC2)s1
InChIInChI=1S/C11H18N2S/c1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyKNCXYOWCTJJFJT-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.71
Rot. Bonds2

About 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole

2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 71131073) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID71131073
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C2CCCCC2)s1
InChIInChI=1S/C11H18N2S/c1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyKNCXYOWCTJJFJT-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole (CID 71131073) is 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(C2CCCCC2)s1.
What is the InChIKey of 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is KNCXYOWCTJJFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole?
2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 210.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 71131073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).