2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C19H18Cl2N2OS — CID 43979791

About 2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43979791) has the molecular formula C19H18Cl2N2OS and a molecular weight of 393.34 g/mol. Its IUPAC name is 2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
• PubChem CID: 43979791
• Molecular Formula: C19H18Cl2N2OS
• Molecular Weight: 393.34 g/mol
• Exact Mass: 392.05
• IUPAC Name: 2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
• SMILES: CCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(C)c(C)cc21
• InChI: InChI=1S/C19H18Cl2N2OS/c1-4-7-23-16-8-11(2)12(3)9-17(16)25-19(23)22-18(24)14-6-5-13(20)10-15(14)21/h5-6,8-10H,4,7H2,1-3H3/b22-19-
• InChIKey: FPWZCRREXPSHRU-QOCHGBHMSA-N
• XLogP: 5.78
• TPSA: 34.36 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.34
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

The IUPAC name of 2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43979791) is 2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

What is the SMILES notation for 2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

The canonical SMILES for 2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(C)c(C)cc21.

What is the InChIKey of 2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

The InChIKey is FPWZCRREXPSHRU-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18Cl2N2OS/c1-4-7-23-16-8-11(2)12(3)9-17(16)25-19(23)22-18(24)14-6-5-13(20)10-15(14)21/h5-6,8-10H,4,7H2,1-3H3/b22-19-.

What are the key properties of 2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 393.34 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43979791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).