5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C17H14ClN3O4S2 — CID 21070748

About 5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 21070748) has the molecular formula C17H14ClN3O4S2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 21070748
• Molecular Formula: C17H14ClN3O4S2
• Molecular Weight: 423.90 g/mol
• Exact Mass: 423.01
• IUPAC Name: 5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: Cn1c(=O)sc2cc(N3CC(CNC(=O)c4ccc(Cl)s4)OC3=O)ccc21
• InChI: InChI=1S/C17H14ClN3O4S2/c1-20-11-3-2-9(6-13(11)27-17(20)24)21-8-10(25-16(21)23)7-19-15(22)12-4-5-14(18)26-12/h2-6,10H,7-8H2,1H3,(H,19,22)
• InChIKey: VWGHMVAUEQPGJV-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 80.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.90
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 21070748) is 5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is Cn1c(=O)sc2cc(N3CC(CNC(=O)c4ccc(Cl)s4)OC3=O)ccc21.

What is the InChIKey of 5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is VWGHMVAUEQPGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S2/c1-20-11-3-2-9(6-13(11)27-17(20)24)21-8-10(25-16(21)23)7-19-15(22)12-4-5-14(18)26-12/h2-6,10H,7-8H2,1H3,(H,19,22).

What are the key properties of 5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 21070748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).