2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide

C17H16Cl2N2O4S2 — CID 40951395

About 2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide

2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide (PubChem CID 40951395) has the molecular formula C17H16Cl2N2O4S2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide
• PubChem CID: 40951395
• Molecular Formula: C17H16Cl2N2O4S2
• Molecular Weight: 447.37 g/mol
• Exact Mass: 445.99
• IUPAC Name: 2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide
• SMILES: COCCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(OC)c(OC)cc21
• InChI: InChI=1S/C17H16Cl2N2O4S2/c1-23-5-4-21-10-7-11(24-2)12(25-3)8-13(10)26-17(21)20-16(22)9-6-14(18)27-15(9)19/h6-8H,4-5H2,1-3H3/b20-17-
• InChIKey: BHRUNUYZTUKJKA-JZJYNLBNSA-N
• XLogP: 4.48
• TPSA: 62.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.37
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide?

The IUPAC name of 2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide (CID 40951395) is 2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide.

What is the SMILES notation for 2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide?

The canonical SMILES for 2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide is COCCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(OC)c(OC)cc21.

What is the InChIKey of 2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide?

The InChIKey is BHRUNUYZTUKJKA-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4S2/c1-23-5-4-21-10-7-11(24-2)12(25-3)8-13(10)26-17(21)20-16(22)9-6-14(18)27-15(9)19/h6-8H,4-5H2,1-3H3/b20-17-.

What are the key properties of 2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide?

2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide has a molecular weight of 447.37 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide is sourced from PubChem (CID 40951395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).