5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole

C7H8N4OS — CID 146238789

IUPAC5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2nncs2)no1
InChIInChI=1S/C7H8N4OS/c1-4(2)6-9-5(11-12-6)7-10-8-3-13-7/h3-4H,1-2H3
InChIKeyDCQQEWVAGOUNQV-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.71
Rot. Bonds2

About 5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole

5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole (PubChem CID 146238789) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
PubChem CID146238789
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2nncs2)no1
InChIInChI=1S/C7H8N4OS/c1-4(2)6-9-5(11-12-6)7-10-8-3-13-7/h3-4H,1-2H3
InChIKeyDCQQEWVAGOUNQV-UHFFFAOYSA-N
XLogP1.71
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole (CID 146238789) is 5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole is CC(C)c1nc(-c2nncs2)no1.
What is the InChIKey of 5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is DCQQEWVAGOUNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-4(2)6-9-5(11-12-6)7-10-8-3-13-7/h3-4H,1-2H3.
What are the key properties of 5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole?
5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole has a molecular weight of 196.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 146238789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).