2-methyl-5-propan-2-yl-1,3,4-thiadiazole

C6H10N2S — CID 20605521

IUPAC2-methyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCc1nnc(C(C)C)s1
InChIInChI=1S/C6H10N2S/c1-4(2)6-8-7-5(3)9-6/h4H,1-3H3
InChIKeyBGILUEADVXKVNM-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.97
Rot. Bonds1

About 2-methyl-5-propan-2-yl-1,3,4-thiadiazole

2-methyl-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 20605521) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID20605521
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name2-methyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCc1nnc(C(C)C)s1
InChIInChI=1S/C6H10N2S/c1-4(2)6-8-7-5(3)9-6/h4H,1-3H3
InChIKeyBGILUEADVXKVNM-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 2-methyl-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-propan-2-yl-1,3,4-thiadiazole (CID 20605521) is 2-methyl-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-propan-2-yl-1,3,4-thiadiazole is Cc1nnc(C(C)C)s1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is BGILUEADVXKVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-4(2)6-8-7-5(3)9-6/h4H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-1,3,4-thiadiazole?
2-methyl-5-propan-2-yl-1,3,4-thiadiazole 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 2-methyl-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 20605521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).