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

C7H10N2S — CID 58853383

IUPAC2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CC2CC2)s1
InChIInChI=1S/C7H10N2S/c1-5-8-9-7(10-5)4-6-2-3-6/h6H,2-4H2,1H3
InChIKeyLHAZXFGCWYJFIH-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.80
Rot. Bonds2

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

2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 58853383) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole
PubChem CID58853383
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CC2CC2)s1
InChIInChI=1S/C7H10N2S/c1-5-8-9-7(10-5)4-6-2-3-6/h6H,2-4H2,1H3
InChIKeyLHAZXFGCWYJFIH-UHFFFAOYSA-N
XLogP1.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole (CID 58853383) is 2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(CC2CC2)s1.
What is the InChIKey of 2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is LHAZXFGCWYJFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-5-8-9-7(10-5)4-6-2-3-6/h6H,2-4H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole?
2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 154.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 58853383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).