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

C8H12N2S — CID 20605514

IUPAC2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C2CC2)s1
InChIInChI=1S/C8H12N2S/c1-5(2)7-9-10-8(11-7)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyHFMJVTQSNIVPGO-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.54
Rot. Bonds2

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

2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 20605514) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID20605514
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C2CC2)s1
InChIInChI=1S/C8H12N2S/c1-5(2)7-9-10-8(11-7)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyHFMJVTQSNIVPGO-UHFFFAOYSA-N
XLogP2.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole (CID 20605514) is 2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is HFMJVTQSNIVPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5(2)7-9-10-8(11-7)6-3-4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole?
2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 168.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 20605514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).