2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole

C14H26N2S — CID 143803006

IUPAC2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole
SMILESCCC(C)(CC)c1nnc(C(C)(CC)CC)s1
InChIInChI=1S/C14H26N2S/c1-7-13(5,8-2)11-15-16-12(17-11)14(6,9-3)10-4/h7-10H2,1-6H3
InChIKeyPIHZYNGOTGOXRL-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.69
Rot. Bonds6

About 2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole

2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole (PubChem CID 143803006) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole
PubChem CID143803006
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole
SMILESCCC(C)(CC)c1nnc(C(C)(CC)CC)s1
InChIInChI=1S/C14H26N2S/c1-7-13(5,8-2)11-15-16-12(17-11)14(6,9-3)10-4/h7-10H2,1-6H3
InChIKeyPIHZYNGOTGOXRL-UHFFFAOYSA-N
XLogP4.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole (CID 143803006) is 2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole is CCC(C)(CC)c1nnc(C(C)(CC)CC)s1.
What is the InChIKey of 2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole?
The InChIKey is PIHZYNGOTGOXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-7-13(5,8-2)11-15-16-12(17-11)14(6,9-3)10-4/h7-10H2,1-6H3.
What are the key properties of 2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole?
2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole has a molecular weight of 254.44 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-methylpentan-3-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 143803006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).