4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide

C14H12ClFN4O3S — CID 59043615

IUPAC4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide
SMILESNC[C@H]1CN(c2ccc(C(=O)Nc3ncc(Cl)s3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H12ClFN4O3S/c15-11-5-18-13(24-11)19-12(21)9-2-1-7(3-10(9)16)20-6-8(4-17)23-14(20)22/h1-3,5,8H,4,6,17H2,(H,18,19,21)/t8-/m0/s1
InChIKeyZTHXYYODLRXQLG-QMMMGPOBSA-N
MW370.79 g/mol
LogP2.47
Rot. Bonds4

About 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide

4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide (PubChem CID 59043615) has the molecular formula C14H12ClFN4O3S and a molecular weight of 370.79 g/mol. Its IUPAC name is 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide
PubChem CID59043615
Molecular FormulaC14H12ClFN4O3S
Molecular Weight370.79 g/mol
Exact Mass370.03
IUPAC Name4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide
SMILESNC[C@H]1CN(c2ccc(C(=O)Nc3ncc(Cl)s3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H12ClFN4O3S/c15-11-5-18-13(24-11)19-12(21)9-2-1-7(3-10(9)16)20-6-8(4-17)23-14(20)22/h1-3,5,8H,4,6,17H2,(H,18,19,21)/t8-/m0/s1
InChIKeyZTHXYYODLRXQLG-QMMMGPOBSA-N
XLogP2.47
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 16068524
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4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)-N-methylbenzamide
CID 16068958
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4-[(2-pyrrolidin-2-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 118728364
4-[(5S)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-N-thiazol-2-yl-benzamide
CID 485741
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CID 129743670
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CID 1510290
(3S)-1-[2-fluoro-4-(1,3-thiazol-2-ylamino)benzoyl]-3-methylpyrrolidine-3-carboxamide
CID 164638683
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 9800768
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 9801814
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 9844241

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide?
The IUPAC name of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide (CID 59043615) is 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide?
The canonical SMILES for 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide is NC[C@H]1CN(c2ccc(C(=O)Nc3ncc(Cl)s3)c(F)c2)C(=O)O1.
What is the InChIKey of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide?
The InChIKey is ZTHXYYODLRXQLG-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H12ClFN4O3S/c15-11-5-18-13(24-11)19-12(21)9-2-1-7(3-10(9)16)20-6-8(4-17)23-14(20)22/h1-3,5,8H,4,6,17H2,(H,18,19,21)/t8-/m0/s1.
What are the key properties of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide?
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide has a molecular weight of 370.79 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 59043615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).