5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide

C15H14FN5O4S — CID 15870397

IUPAC5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3nnc(C(N)=O)s3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H14FN5O4S/c1-7(22)18-5-9-6-21(15(24)25-9)8-2-3-10(11(16)4-8)13-19-20-14(26-13)12(17)23/h2-4,9H,5-6H2,1H3,(H2,17,23)(H,18,22)/t9-/m0/s1
InChIKeyKIUXVJZYYKPPCR-VIFPVBQESA-N
MW379.37 g/mol
LogP0.90
Rot. Bonds5

About 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide

5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 15870397) has the molecular formula C15H14FN5O4S and a molecular weight of 379.37 g/mol. Its IUPAC name is 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID15870397
Molecular FormulaC15H14FN5O4S
Molecular Weight379.37 g/mol
Exact Mass379.08
IUPAC Name5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3nnc(C(N)=O)s3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H14FN5O4S/c1-7(22)18-5-9-6-21(15(24)25-9)8-2-3-10(11(16)4-8)13-19-20-14(26-13)12(17)23/h2-4,9H,5-6H2,1H3,(H2,17,23)(H,18,22)/t9-/m0/s1
InChIKeyKIUXVJZYYKPPCR-VIFPVBQESA-N
XLogP0.90
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide (CID 15870397) is 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide is CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(C(N)=O)s3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KIUXVJZYYKPPCR-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14FN5O4S/c1-7(22)18-5-9-6-21(15(24)25-9)8-2-3-10(11(16)4-8)13-19-20-14(26-13)12(17)23/h2-4,9H,5-6H2,1H3,(H2,17,23)(H,18,22)/t9-/m0/s1.
What are the key properties of 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide?
5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 15870397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).