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

C7H12N2S — CID 20605517

IUPAC2-ethyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCCc1nnc(C(C)C)s1
InChIInChI=1S/C7H12N2S/c1-4-6-8-9-7(10-6)5(2)3/h5H,4H2,1-3H3
InChIKeyLJVPGIKWYUTWDW-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.22
Rot. Bonds2

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

2-ethyl-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 20605517) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID20605517
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2-ethyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCCc1nnc(C(C)C)s1
InChIInChI=1S/C7H12N2S/c1-4-6-8-9-7(10-6)5(2)3/h5H,4H2,1-3H3
InChIKeyLJVPGIKWYUTWDW-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-1,3,4-thiadiazole
CID 96922
2-Chloro-5-ethyl-1,3,4-thiadiazole
CID 253146
2-(Chloromethyl)-5-(propan-2-yl)-1,3,4-thiadiazole
CID 23462299
2-Bromo-5-(propan-2-yl)-1,3,4-thiadiazole
CID 46942155
2-(5-Methyl-1,3,4-thiadiazol-2-yl)acetonitrile
CID 60756488
2-Ethyl-5-iodo-1,3,4-thiadiazole
CID 63384145
2,5-Diisopropyl-1,3,4-thiadiazole
CID 6451666
2,5-Diethyl-1,3,4-thiadiazole
CID 6451667
2-Isopropyl-5-methoxy-1,3,4-thiadiazole
CID 12816257
2,5-Di-tert-butyl-1,3,4-thiadiazole
CID 13448364
2-Methylsulfanyl-5-propan-2-yl-1,3,4-thiadiazole
CID 53790794
2-(tert-Butyldisulfanyl)-5-methyl-1,3,4-thiadiazole
CID 71381626

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-propan-2-yl-1,3,4-thiadiazole (CID 20605517) is 2-ethyl-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-propan-2-yl-1,3,4-thiadiazole is CCc1nnc(C(C)C)s1.
What is the InChIKey of 2-ethyl-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is LJVPGIKWYUTWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-4-6-8-9-7(10-6)5(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-yl-1,3,4-thiadiazole?
2-ethyl-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 20605517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).