4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C18H14N4OS3 — CID 26209944

About 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 26209944) has the molecular formula C18H14N4OS3 and a molecular weight of 398.54 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
• PubChem CID: 26209944
• Molecular Formula: C18H14N4OS3
• Molecular Weight: 398.54 g/mol
• Exact Mass: 398.03
• IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
• SMILES: Cc1nnc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)s1
• InChI: InChI=1S/C18H14N4OS3/c1-11-21-22-17(25-11)20-16(23)13-8-6-12(7-9-13)10-24-18-19-14-4-2-3-5-15(14)26-18/h2-9H,10H2,1H3,(H,20,22,23)
• InChIKey: UOXFODMWCKDWFY-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.54
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 26209944) is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

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

The canonical SMILES for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)s1.

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

The InChIKey is UOXFODMWCKDWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS3/c1-11-21-22-17(25-11)20-16(23)13-8-6-12(7-9-13)10-24-18-19-14-4-2-3-5-15(14)26-18/h2-9H,10H2,1H3,(H,20,22,23).

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

4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 398.54 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 26209944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).