5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole

C10H16N2S — CID 170025383

IUPAC5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole
SMILESCC(C)C(C)c1nnsc1C1CC1
InChIInChI=1S/C10H16N2S/c1-6(2)7(3)9-10(8-4-5-8)13-12-11-9/h6-8H,4-5H2,1-3H3
InChIKeyBCEAEOHZEYBDLY-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.17
Rot. Bonds3

About 5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole

5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole (PubChem CID 170025383) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole.

Molecular Properties

Compound Name5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole
PubChem CID170025383
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole
SMILESCC(C)C(C)c1nnsc1C1CC1
InChIInChI=1S/C10H16N2S/c1-6(2)7(3)9-10(8-4-5-8)13-12-11-9/h6-8H,4-5H2,1-3H3
InChIKeyBCEAEOHZEYBDLY-UHFFFAOYSA-N
XLogP3.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole?
The IUPAC name of 5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole (CID 170025383) is 5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole.
What is the SMILES notation for 5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole?
The canonical SMILES for 5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole is CC(C)C(C)c1nnsc1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole?
The InChIKey is BCEAEOHZEYBDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-6(2)7(3)9-10(8-4-5-8)13-12-11-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole?
5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole has a molecular weight of 196.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(3-methylbutan-2-yl)thiadiazole is sourced from PubChem (CID 170025383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).