1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide

C15H15N5O2S2 — CID 121128800

About 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide

1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide (PubChem CID 121128800) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
• PubChem CID: 121128800
• Molecular Formula: C15H15N5O2S2
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.07
• IUPAC Name: 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
• SMILES: COc1ccc2sc(N3CC(C(=O)Nc4nnc(C)s4)C3)nc2c1
• InChI: InChI=1S/C15H15N5O2S2/c1-8-18-19-14(23-8)17-13(21)9-6-20(7-9)15-16-11-5-10(22-2)3-4-12(11)24-15/h3-5,9H,6-7H2,1-2H3,(H,17,19,21)
• InChIKey: CLDOXEPSSYMJSW-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide?

The IUPAC name of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide (CID 121128800) is 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide.

What is the SMILES notation for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide?

The canonical SMILES for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide is COc1ccc2sc(N3CC(C(=O)Nc4nnc(C)s4)C3)nc2c1.

What is the InChIKey of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide?

The InChIKey is CLDOXEPSSYMJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c1-8-18-19-14(23-8)17-13(21)9-6-20(7-9)15-16-11-5-10(22-2)3-4-12(11)24-15/h3-5,9H,6-7H2,1-2H3,(H,17,19,21).

What are the key properties of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide?

1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121128800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).