2-(3-methylpentan-3-yl)-1,3,4-thiadiazole

C8H14N2S — CID 146578577

IUPAC2-(3-methylpentan-3-yl)-1,3,4-thiadiazole
SMILESCCC(C)(CC)c1nncs1
InChIInChI=1S/C8H14N2S/c1-4-8(3,5-2)7-10-9-6-11-7/h6H,4-5H2,1-3H3
InChIKeyYBDFWZGYHWRNHR-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.62
Rot. Bonds3

About 2-(3-methylpentan-3-yl)-1,3,4-thiadiazole

2-(3-methylpentan-3-yl)-1,3,4-thiadiazole (PubChem CID 146578577) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(3-methylpentan-3-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-methylpentan-3-yl)-1,3,4-thiadiazole
PubChem CID146578577
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-(3-methylpentan-3-yl)-1,3,4-thiadiazole
SMILESCCC(C)(CC)c1nncs1
InChIInChI=1S/C8H14N2S/c1-4-8(3,5-2)7-10-9-6-11-7/h6H,4-5H2,1-3H3
InChIKeyYBDFWZGYHWRNHR-UHFFFAOYSA-N
XLogP2.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butan-2-yl-1,3,4-thiadiazole
CID 20466570
2-Tert-butyl-1,3,4-thiadiazole
CID 20502975
2-(2-Methylpropyl)-1,3,4-thiadiazole
CID 20977066
2-(2,2-Dimethylpropyl)-1,3,4-thiadiazole
CID 58695826
2-(4,4-Dimethylpentyl)-1,3,4-thiadiazole
CID 59842134
2-(1-Methylcyclopropyl)-1,3,4-thiadiazole
CID 69090564
2-(1-Ethylcyclopropyl)-1,3,4-thiadiazole
CID 90687772
2-Pentan-3-yl-1,3,4-thiadiazole
CID 90705926
2-(2-Methylbutan-2-yl)-1,3,4-thiadiazole
CID 90878730
2-Hexan-2-yl-1,3,4-thiadiazole
CID 91020221
2-(2-Methylhexan-2-yl)-1,3,4-thiadiazole
CID 91496089
2-(2-Methyloctan-2-yl)-1,3,4-thiadiazole
CID 117830761

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-methylpentan-3-yl)-1,3,4-thiadiazole (CID 146578577) is 2-(3-methylpentan-3-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-methylpentan-3-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-methylpentan-3-yl)-1,3,4-thiadiazole is CCC(C)(CC)c1nncs1.
What is the InChIKey of 2-(3-methylpentan-3-yl)-1,3,4-thiadiazole?
The InChIKey is YBDFWZGYHWRNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-4-8(3,5-2)7-10-9-6-11-7/h6H,4-5H2,1-3H3.
What are the key properties of 2-(3-methylpentan-3-yl)-1,3,4-thiadiazole?
2-(3-methylpentan-3-yl)-1,3,4-thiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 146578577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).