2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole

C7H12N2S — CID 45123425

IUPAC2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole
SMILESCc1nnc(CC(C)C)s1
InChIInChI=1S/C7H12N2S/c1-5(2)4-7-9-8-6(3)10-7/h5H,4H2,1-3H3
InChIKeyPFHCMOIORWQESV-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.05
Rot. Bonds2

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

2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole (PubChem CID 45123425) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole
PubChem CID45123425
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole
SMILESCc1nnc(CC(C)C)s1
InChIInChI=1S/C7H12N2S/c1-5(2)4-7-9-8-6(3)10-7/h5H,4H2,1-3H3
InChIKeyPFHCMOIORWQESV-UHFFFAOYSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole (CID 45123425) is 2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole is Cc1nnc(CC(C)C)s1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole?
The InChIKey is PFHCMOIORWQESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5(2)4-7-9-8-6(3)10-7/h5H,4H2,1-3H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole?
2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 45123425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).