2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole

C16H30N2S — CID 91153040

IUPAC2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole
SMILESCCCCC(C)(CCCC)c1nnc(CC(C)C)s1
InChIInChI=1S/C16H30N2S/c1-6-8-10-16(5,11-9-7-2)15-18-17-14(19-15)12-13(3)4/h13H,6-12H2,1-5H3
InChIKeyXOEMIYUZRRCVNG-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.37
Rot. Bonds9

About 2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole

2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole (PubChem CID 91153040) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole
PubChem CID91153040
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole
SMILESCCCCC(C)(CCCC)c1nnc(CC(C)C)s1
InChIInChI=1S/C16H30N2S/c1-6-8-10-16(5,11-9-7-2)15-18-17-14(19-15)12-13(3)4/h13H,6-12H2,1-5H3
InChIKeyXOEMIYUZRRCVNG-UHFFFAOYSA-N
XLogP5.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Octan-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 142253642
2-(Difluoromethyl)-5-(3-methylnonan-3-yl)-1,3,4-thiadiazole
CID 170120734
2-(Difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole
CID 170121692
2,5-Bis(4-butylcyclohexyl)-1,3,4-thiadiazole
CID 15597084
2-(4-Butylcyclohexyl)-5-(4-heptylcyclohexyl)-1,3,4-thiadiazole
CID 15597085
2,5-Bis(4-hexylcyclohexyl)-1,3,4-thiadiazole
CID 15597091
2,5-Dioctyl-1,3,4-thiadiazole
CID 18332293
2,5-Bis(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 18714561
2-Methyl-5-(3-methylpentan-3-yl)-1,3,4-thiadiazole
CID 21365760
2-Methyl-5-tridecyl-1,3,4-thiadiazole
CID 23346374
2-Cyclohexyl-5-methyl-1,3,4-thiadiazole
CID 58853370
2-Tert-butyl-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 59476461

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole (CID 91153040) is 2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole is CCCCC(C)(CCCC)c1nnc(CC(C)C)s1.
What is the InChIKey of 2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole?
The InChIKey is XOEMIYUZRRCVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-6-8-10-16(5,11-9-7-2)15-18-17-14(19-15)12-13(3)4/h13H,6-12H2,1-5H3.
What are the key properties of 2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole?
2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole has a molecular weight of 282.50 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 91153040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).