4-methyl-5-propan-2-ylthiadiazole

C6H10N2S — CID 23588983

IUPAC4-methyl-5-propan-2-ylthiadiazole
SMILESCc1nnsc1C(C)C
InChIInChI=1S/C6H10N2S/c1-4(2)6-5(3)7-8-9-6/h4H,1-3H3
InChIKeyBOGOVKDESVYZGD-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.97
Rot. Bonds1

About 4-methyl-5-propan-2-ylthiadiazole

4-methyl-5-propan-2-ylthiadiazole (PubChem CID 23588983) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4-methyl-5-propan-2-ylthiadiazole.

Molecular Properties

Compound Name4-methyl-5-propan-2-ylthiadiazole
PubChem CID23588983
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4-methyl-5-propan-2-ylthiadiazole
SMILESCc1nnsc1C(C)C
InChIInChI=1S/C6H10N2S/c1-4(2)6-5(3)7-8-9-6/h4H,1-3H3
InChIKeyBOGOVKDESVYZGD-UHFFFAOYSA-N
XLogP1.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-ylthiadiazole?
The IUPAC name of 4-methyl-5-propan-2-ylthiadiazole (CID 23588983) is 4-methyl-5-propan-2-ylthiadiazole.
What is the SMILES notation for 4-methyl-5-propan-2-ylthiadiazole?
The canonical SMILES for 4-methyl-5-propan-2-ylthiadiazole is Cc1nnsc1C(C)C.
What is the InChIKey of 4-methyl-5-propan-2-ylthiadiazole?
The InChIKey is BOGOVKDESVYZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-4(2)6-5(3)7-8-9-6/h4H,1-3H3.
What are the key properties of 4-methyl-5-propan-2-ylthiadiazole?
4-methyl-5-propan-2-ylthiadiazole has a molecular weight of 142.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-ylthiadiazole is sourced from PubChem (CID 23588983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).