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

C8H14N2S — CID 129191458

IUPAC3-propan-2-yl-5-propyl-1,2,4-thiadiazole
SMILESCCCc1nc(C(C)C)ns1
InChIInChI=1S/C8H14N2S/c1-4-5-7-9-8(6(2)3)10-11-7/h6H,4-5H2,1-3H3
InChIKeyKQFRVHCUGLJNRB-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.61
Rot. Bonds3

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

3-propan-2-yl-5-propyl-1,2,4-thiadiazole (PubChem CID 129191458) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-propan-2-yl-5-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-propyl-1,2,4-thiadiazole
PubChem CID129191458
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name3-propan-2-yl-5-propyl-1,2,4-thiadiazole
SMILESCCCc1nc(C(C)C)ns1
InChIInChI=1S/C8H14N2S/c1-4-5-7-9-8(6(2)3)10-11-7/h6H,4-5H2,1-3H3
InChIKeyKQFRVHCUGLJNRB-UHFFFAOYSA-N
XLogP2.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole
CID 14763515
3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 581957
Dimethyl-1,2,4-thiadiazole
CID 13028086
3-Propyl-1,2,4-thiadiazol-5-amine
CID 575489
5-(Propan-2-yl)-1,2,4-thiadiazol-3-amine
CID 12246467
5-(Chloromethyl)-3-(propan-2-yl)-1,2,4-thiadiazole
CID 17832095
3,5-Ditert-butyl-1,2,4-thiadiazole
CID 12846881
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
5-(Bromomethyl)-3-ethyl-1,2,4-thiadiazole
CID 165830947
5-Tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 58432432
5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 59300522
5-Ethyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 68235669

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-propyl-1,2,4-thiadiazole?
The IUPAC name of 3-propan-2-yl-5-propyl-1,2,4-thiadiazole (CID 129191458) is 3-propan-2-yl-5-propyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-propan-2-yl-5-propyl-1,2,4-thiadiazole?
The canonical SMILES for 3-propan-2-yl-5-propyl-1,2,4-thiadiazole is CCCc1nc(C(C)C)ns1.
What is the InChIKey of 3-propan-2-yl-5-propyl-1,2,4-thiadiazole?
The InChIKey is KQFRVHCUGLJNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-4-5-7-9-8(6(2)3)10-11-7/h6H,4-5H2,1-3H3.
What are the key properties of 3-propan-2-yl-5-propyl-1,2,4-thiadiazole?
3-propan-2-yl-5-propyl-1,2,4-thiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 129191458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).