2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide

C18H24N4OS — CID 166336279

IUPAC2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide
SMILESCC(C)C(C)(Cc1ccccc1)C(=O)NC1CN(c2nncs2)C1
InChIInChI=1S/C18H24N4OS/c1-13(2)18(3,9-14-7-5-4-6-8-14)16(23)20-15-10-22(11-15)17-21-19-12-24-17/h4-8,12-13,15H,9-11H2,1-3H3,(H,20,23)
InChIKeyFOLHKJRAFYDCFH-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.75
Rot. Bonds6

About 2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide

2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide (PubChem CID 166336279) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide.

Molecular Properties

Compound Name2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide
PubChem CID166336279
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide
SMILESCC(C)C(C)(Cc1ccccc1)C(=O)NC1CN(c2nncs2)C1
InChIInChI=1S/C18H24N4OS/c1-13(2)18(3,9-14-7-5-4-6-8-14)16(23)20-15-10-22(11-15)17-21-19-12-24-17/h4-8,12-13,15H,9-11H2,1-3H3,(H,20,23)
InChIKeyFOLHKJRAFYDCFH-UHFFFAOYSA-N
XLogP2.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide?
The IUPAC name of 2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide (CID 166336279) is 2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide.
What is the SMILES notation for 2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide?
The canonical SMILES for 2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide is CC(C)C(C)(Cc1ccccc1)C(=O)NC1CN(c2nncs2)C1.
What is the InChIKey of 2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide?
The InChIKey is FOLHKJRAFYDCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13(2)18(3,9-14-7-5-4-6-8-14)16(23)20-15-10-22(11-15)17-21-19-12-24-17/h4-8,12-13,15H,9-11H2,1-3H3,(H,20,23).
What are the key properties of 2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide?
2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide has a molecular weight of 344.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide is sourced from PubChem (CID 166336279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).