N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide

C16H17N3O4S — CID 15341034

About N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide

N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide (PubChem CID 15341034) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
• PubChem CID: 15341034
• Molecular Formula: C16H17N3O4S
• Molecular Weight: 347.40 g/mol
• Exact Mass: 347.09
• IUPAC Name: N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
• SMILES: Cn1c(=O)sc2cc(N3C[C@H](CNC(=O)C4CC4)OC3=O)ccc21
• InChI: InChI=1S/C16H17N3O4S/c1-18-12-5-4-10(6-13(12)24-16(18)22)19-8-11(23-15(19)21)7-17-14(20)9-2-3-9/h4-6,9,11H,2-3,7-8H2,1H3,(H,17,20)/t11-/m0/s1
• InChIKey: XSWONDWTMHPWDY-NSHDSACASA-N
• XLogP: 1.45
• TPSA: 80.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.40
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide (CID 15341034) is N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide is Cn1c(=O)sc2cc(N3C[C@H](CNC(=O)C4CC4)OC3=O)ccc21.

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

The InChIKey is XSWONDWTMHPWDY-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-18-12-5-4-10(6-13(12)24-16(18)22)19-8-11(23-15(19)21)7-17-14(20)9-2-3-9/h4-6,9,11H,2-3,7-8H2,1H3,(H,17,20)/t11-/m0/s1.

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

N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide has a molecular weight of 347.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 15341034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).