5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole

C9H15N3S — CID 130611538

IUPAC5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole
SMILESCC(C)(C)c1nsc(N2CCC2)n1
InChIInChI=1S/C9H15N3S/c1-9(2,3)7-10-8(13-11-7)12-5-4-6-12/h4-6H2,1-3H3
InChIKeyIFJQKMSOSPXRSP-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.05
Rot. Bonds1

About 5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole

5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole (PubChem CID 130611538) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole
PubChem CID130611538
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole
SMILESCC(C)(C)c1nsc(N2CCC2)n1
InChIInChI=1S/C9H15N3S/c1-9(2,3)7-10-8(13-11-7)12-5-4-6-12/h4-6H2,1-3H3
InChIKeyIFJQKMSOSPXRSP-UHFFFAOYSA-N
XLogP2.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole?
The IUPAC name of 5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole (CID 130611538) is 5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole is CC(C)(C)c1nsc(N2CCC2)n1.
What is the InChIKey of 5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole?
The InChIKey is IFJQKMSOSPXRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-9(2,3)7-10-8(13-11-7)12-5-4-6-12/h4-6H2,1-3H3.
What are the key properties of 5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole?
5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole has a molecular weight of 197.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole is sourced from PubChem (CID 130611538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).