N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide

About N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide

N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide (PubChem CID 3003162) has the molecular formula C18H20FN5O4S2 and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound Name	N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide
PubChem CID	3003162
Molecular Formula	C18H20FN5O4S2
Molecular Weight	453.52 g/mol
Exact Mass	453.09
IUPAC Name	N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide
SMILES	CC(=S)NC[C@H]1CN(c2ccc(-c3nnc(CN(C)C(=O)CO)s3)c(F)c2)C(=O)O1
InChI	InChI=1S/C18H20FN5O4S2/c1-10(29)20-6-12-7-24(18(27)28-12)11-3-4-13(14(19)5-11)17-22-21-15(30-17)8-23(2)16(26)9-25/h3-5,12,25H,6-9H2,1-2H3,(H,20,29)/t12-/m0/s1
InChIKey	YEQSQPXHCOGVNF-LBPRGKRZSA-N
XLogP	1.56
TPSA	107.89 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide?

The IUPAC name of N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide (CID 3003162) is N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide.

What is the SMILES notation for N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide?

The canonical SMILES for N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide is CC(=S)NC[C@H]1CN(c2ccc(-c3nnc(CN(C)C(=O)CO)s3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide?

The InChIKey is YEQSQPXHCOGVNF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20FN5O4S2/c1-10(29)20-6-12-7-24(18(27)28-12)11-3-4-13(14(19)5-11)17-22-21-15(30-17)8-23(2)16(26)9-25/h3-5,12,25H,6-9H2,1-2H3,(H,20,29)/t12-/m0/s1.

What are the key properties of N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide?

N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide has a molecular weight of 453.52 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 3003162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).