4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one

C11H17N5OS — CID 21454620

IUPAC4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one
SMILESCN1NCN(c2nnc(C3CCCCC3)s2)C1=O
InChIInChI=1S/C11H17N5OS/c1-15-11(17)16(7-12-15)10-14-13-9(18-10)8-5-3-2-4-6-8/h8,12H,2-7H2,1H3
InChIKeyJAIXJGDBMGUMQJ-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.92
Rot. Bonds2

About 4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one

4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one (PubChem CID 21454620) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one.

Molecular Properties

Compound Name4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one
PubChem CID21454620
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one
SMILESCN1NCN(c2nnc(C3CCCCC3)s2)C1=O
InChIInChI=1S/C11H17N5OS/c1-15-11(17)16(7-12-15)10-14-13-9(18-10)8-5-3-2-4-6-8/h8,12H,2-7H2,1H3
InChIKeyJAIXJGDBMGUMQJ-UHFFFAOYSA-N
XLogP1.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-methoxycyclohexyl)-1,3,4-thiadiazol-2-yl]-2-methyl-1,2,4-triazolidin-3-one
CID 21454637
2-methyl-4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazolidin-3-one
CID 21454632
3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
CID 21481855
3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
CID 21481857
[1-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674605
3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one
CID 70634370
S-[[1-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168669088
2-(azepan-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365790
[3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-bromobenzoate
CID 21481870
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 108729682
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylprop-2-en-1-one
CID 108729648
2-bromo-5-cycloheptyl-1,3,4-thiadiazole
CID 63383342

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one?
The IUPAC name of 4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one (CID 21454620) is 4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one.
What is the SMILES notation for 4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one?
The canonical SMILES for 4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one is CN1NCN(c2nnc(C3CCCCC3)s2)C1=O.
What is the InChIKey of 4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one?
The InChIKey is JAIXJGDBMGUMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-15-11(17)16(7-12-15)10-14-13-9(18-10)8-5-3-2-4-6-8/h8,12H,2-7H2,1H3.
What are the key properties of 4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one?
4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one has a molecular weight of 267.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one is sourced from PubChem (CID 21454620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).