4,5-di(propan-2-yl)thiadiazole

C8H14N2S — CID 59752180

IUPAC4,5-di(propan-2-yl)thiadiazole
SMILESCC(C)c1nnsc1C(C)C
InChIInChI=1S/C8H14N2S/c1-5(2)7-8(6(3)4)11-10-9-7/h5-6H,1-4H3
InChIKeySRUKOIUHMVXPCW-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.78
Rot. Bonds2

About 4,5-di(propan-2-yl)thiadiazole

4,5-di(propan-2-yl)thiadiazole (PubChem CID 59752180) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)thiadiazole.

Molecular Properties

Compound Name4,5-di(propan-2-yl)thiadiazole
PubChem CID59752180
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4,5-di(propan-2-yl)thiadiazole
SMILESCC(C)c1nnsc1C(C)C
InChIInChI=1S/C8H14N2S/c1-5(2)7-8(6(3)4)11-10-9-7/h5-6H,1-4H3
InChIKeySRUKOIUHMVXPCW-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)thiadiazole?
The IUPAC name of 4,5-di(propan-2-yl)thiadiazole (CID 59752180) is 4,5-di(propan-2-yl)thiadiazole.
What is the SMILES notation for 4,5-di(propan-2-yl)thiadiazole?
The canonical SMILES for 4,5-di(propan-2-yl)thiadiazole is CC(C)c1nnsc1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)thiadiazole?
The InChIKey is SRUKOIUHMVXPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5(2)7-8(6(3)4)11-10-9-7/h5-6H,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)thiadiazole?
4,5-di(propan-2-yl)thiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)thiadiazole is sourced from PubChem (CID 59752180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).