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

C8H13N3S — CID 105440785

IUPAC2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C2CNC2)s1
InChIInChI=1S/C8H13N3S/c1-5(2)7-10-11-8(12-7)6-3-9-4-6/h5-6,9H,3-4H2,1-2H3
InChIKeyTZTAGNBDMYJQMK-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.35
Rot. Bonds2

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

2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 105440785) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID105440785
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C2CNC2)s1
InChIInChI=1S/C8H13N3S/c1-5(2)7-10-11-8(12-7)6-3-9-4-6/h5-6,9H,3-4H2,1-2H3
InChIKeyTZTAGNBDMYJQMK-UHFFFAOYSA-N
XLogP1.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole (CID 105440785) is 2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(C2CNC2)s1.
What is the InChIKey of 2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is TZTAGNBDMYJQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5(2)7-10-11-8(12-7)6-3-9-4-6/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole?
2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 183.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 105440785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).