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

C19H18Cl2N2O3S — CID 41134090

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

2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 41134090) has the molecular formula C19H18Cl2N2O3S and a molecular weight of 425.34 g/mol. Its IUPAC name is 2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
• PubChem CID: 41134090
• Molecular Formula: C19H18Cl2N2O3S
• Molecular Weight: 425.34 g/mol
• Exact Mass: 424.04
• IUPAC Name: 2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
• SMILES: CCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(OC)c(OC)cc21
• InChI: InChI=1S/C19H18Cl2N2O3S/c1-4-7-23-14-9-15(25-2)16(26-3)10-17(14)27-19(23)22-18(24)12-6-5-11(20)8-13(12)21/h5-6,8-10H,4,7H2,1-3H3/b22-19-
• InChIKey: SDVAZGFJBPIIEC-QOCHGBHMSA-N
• XLogP: 5.18
• TPSA: 52.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.34
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 41134090) is 2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

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

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

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

The InChIKey is SDVAZGFJBPIIEC-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3S/c1-4-7-23-14-9-15(25-2)16(26-3)10-17(14)27-19(23)22-18(24)12-6-5-11(20)8-13(12)21/h5-6,8-10H,4,7H2,1-3H3/b22-19-.

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

2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 425.34 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 41134090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).