N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C15H18FN3O5S — CID 10177223

IUPACN-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CS(=O)(=O)N3CCF)C(=O)O1
InChIInChI=1S/C15H18FN3O5S/c1-10(20)17-7-13-8-18(15(21)24-13)12-2-3-14-11(6-12)9-25(22,23)19(14)5-4-16/h2-3,6,13H,4-5,7-9H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyUFIOTODTLWPQJA-ZDUSSCGKSA-N
MW371.39 g/mol
LogP0.77
Rot. Bonds5

About N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10177223) has the molecular formula C15H18FN3O5S and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10177223
Molecular FormulaC15H18FN3O5S
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC NameN-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CS(=O)(=O)N3CCF)C(=O)O1
InChIInChI=1S/C15H18FN3O5S/c1-10(20)17-7-13-8-18(15(21)24-13)12-2-3-14-11(6-12)9-25(22,23)19(14)5-4-16/h2-3,6,13H,4-5,7-9H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyUFIOTODTLWPQJA-ZDUSSCGKSA-N
XLogP0.77
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10177223) is N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc3c(c2)CS(=O)(=O)N3CCF)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is UFIOTODTLWPQJA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN3O5S/c1-10(20)17-7-13-8-18(15(21)24-13)12-2-3-14-11(6-12)9-25(22,23)19(14)5-4-16/h2-3,6,13H,4-5,7-9H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10177223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).