5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide

C14H9ClN2O3S2 — CID 7154015

About 5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide

5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide (PubChem CID 7154015) has the molecular formula C14H9ClN2O3S2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide
• PubChem CID: 7154015
• Molecular Formula: C14H9ClN2O3S2
• Molecular Weight: 352.82 g/mol
• Exact Mass: 351.97
• IUPAC Name: 5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide
• SMILES: Cn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc3c(cc21)OCO3
• InChI: InChI=1S/C14H9ClN2O3S2/c1-17-7-4-8-9(20-6-19-8)5-11(7)22-14(17)16-13(18)10-2-3-12(15)21-10/h2-5H,6H2,1H3/b16-14-
• InChIKey: SVLHHMBSYRULCP-PEZBUJJGSA-N
• XLogP: 3.42
• TPSA: 52.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.82
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide (CID 7154015) is 5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide is Cn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc3c(cc21)OCO3.

What is the InChIKey of 5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide?

The InChIKey is SVLHHMBSYRULCP-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H9ClN2O3S2/c1-17-7-4-8-9(20-6-19-8)5-11(7)22-14(17)16-13(18)10-2-3-12(15)21-10/h2-5H,6H2,1H3/b16-14-.

What are the key properties of 5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide?

5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 7154015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).