2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

C19H13Cl2N3OS3 — CID 5174214

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 5174214) has the molecular formula C19H13Cl2N3OS3 and a molecular weight of 466.44 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 5174214
• Molecular Formula: C19H13Cl2N3OS3
• Molecular Weight: 466.44 g/mol
• Exact Mass: 464.96
• IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: O=C(CSc1nc2ccccc2s1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
• InChI: InChI=1S/C19H13Cl2N3OS3/c20-12-5-6-14(21)11(7-12)8-13-9-22-18(27-13)24-17(25)10-26-19-23-15-3-1-2-4-16(15)28-19/h1-7,9H,8,10H2,(H,22,24,25)
• InChIKey: VNDAIBYVMFRAKX-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.44
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 5174214) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is O=C(CSc1nc2ccccc2s1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1.

What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is VNDAIBYVMFRAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3OS3/c20-12-5-6-14(21)11(7-12)8-13-9-22-18(27-13)24-17(25)10-26-19-23-15-3-1-2-4-16(15)28-19/h1-7,9H,8,10H2,(H,22,24,25).

What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 466.44 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5174214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).