4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide

C52H52F3N13O12S8 — CID 158528883

IUPAC4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=S)NC[C@H]1CN(c2ccc(C(=O)Nc3ccc(S(C)=O)nc3)c(F)c2)C(=O)O1.CC(=S)NC[C@H]1CN(c2ccc(C(=O)Nc3ncc(S(C)=O)s3)c(F)c2)C(=O)O1.CC(=S)NC[C@H]1CN(c2ccc(C(=O)Nc3nnc(S(C)=O)s3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H19FN4O4S2.C17H17FN4O4S3.C16H16FN5O4S3/c1-11(29)21-9-14-10-24(19(26)28-14)13-4-5-15(16(20)7-13)18(25)23-12-3-6-17(22-8-12)30(2)27;1-9(27)19-6-11-8-22(17(24)26-11)10-3-4-12(13(18)5-10)15(23)21-16-20-7-14(28-16)29(2)25;1-8(27)18-6-10-7-22(16(24)26-10)9-3-4-11(12(17)5-9)13(23)19-14-20-21-15(28-14)29(2)25/h3-8,14H,9-10H2,1-2H3,(H,21,29)(H,23,25);3-5,7,11H,6,8H2,1-2H3,(H,19,27)(H,20,21,23);3-5,10H,6-7H2,1-2H3,(H,18,27)(H,19,20,23)/t14-,30?;11-,29?;10-,29?/m000/s1
InChIKeyHNCUECQOEDKNJF-SETLRGEVSA-N
MW1364.60 g/mol
LogP6.94
Rot. Bonds18

About 4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide

4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide (PubChem CID 158528883) has the molecular formula C52H52F3N13O12S8 and a molecular weight of 1364.60 g/mol. Its IUPAC name is 4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide
PubChem CID158528883
Molecular FormulaC52H52F3N13O12S8
Molecular Weight1364.60 g/mol
Exact Mass1363.16
IUPAC Name4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=S)NC[C@H]1CN(c2ccc(C(=O)Nc3ccc(S(C)=O)nc3)c(F)c2)C(=O)O1.CC(=S)NC[C@H]1CN(c2ccc(C(=O)Nc3ncc(S(C)=O)s3)c(F)c2)C(=O)O1.CC(=S)NC[C@H]1CN(c2ccc(C(=O)Nc3nnc(S(C)=O)s3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H19FN4O4S2.C17H17FN4O4S3.C16H16FN5O4S3/c1-11(29)21-9-14-10-24(19(26)28-14)13-4-5-15(16(20)7-13)18(25)23-12-3-6-17(22-8-12)30(2)27;1-9(27)19-6-11-8-22(17(24)26-11)10-3-4-12(13(18)5-10)15(23)21-16-20-7-14(28-16)29(2)25;1-8(27)18-6-10-7-22(16(24)26-10)9-3-4-11(12(17)5-9)13(23)19-14-20-21-15(28-14)29(2)25/h3-8,14H,9-10H2,1-2H3,(H,21,29)(H,23,25);3-5,7,11H,6,8H2,1-2H3,(H,19,27)(H,20,21,23);3-5,10H,6-7H2,1-2H3,(H,18,27)(H,19,20,23)/t14-,30?;11-,29?;10-,29?/m000/s1
InChIKeyHNCUECQOEDKNJF-SETLRGEVSA-N
XLogP6.94
TPSA314.78 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001364.60
LogP ≤ 56.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-(6-chloro-3-pyridinyl)-4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 157134440
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide;methane
CID 159203916
actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane
CID 159827893
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 160561005
actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 161239267

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide (CID 158528883) is 4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide is CC(=S)NC[C@H]1CN(c2ccc(C(=O)Nc3ccc(S(C)=O)nc3)c(F)c2)C(=O)O1.CC(=S)NC[C@H]1CN(c2ccc(C(=O)Nc3ncc(S(C)=O)s3)c(F)c2)C(=O)O1.CC(=S)NC[C@H]1CN(c2ccc(C(=O)Nc3nnc(S(C)=O)s3)c(F)c2)C(=O)O1.
What is the InChIKey of 4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is HNCUECQOEDKNJF-SETLRGEVSA-N. The full InChI is InChI=1S/C19H19FN4O4S2.C17H17FN4O4S3.C16H16FN5O4S3/c1-11(29)21-9-14-10-24(19(26)28-14)13-4-5-15(16(20)7-13)18(25)23-12-3-6-17(22-8-12)30(2)27;1-9(27)19-6-11-8-22(17(24)26-11)10-3-4-12(13(18)5-10)15(23)21-16-20-7-14(28-16)29(2)25;1-8(27)18-6-10-7-22(16(24)26-10)9-3-4-11(12(17)5-9)13(23)19-14-20-21-15(28-14)29(2)25/h3-8,14H,9-10H2,1-2H3,(H,21,29)(H,23,25);3-5,7,11H,6,8H2,1-2H3,(H,19,27)(H,20,21,23);3-5,10H,6-7H2,1-2H3,(H,18,27)(H,19,20,23)/t14-,30?;11-,29?;10-,29?/m000/s1.
What are the key properties of 4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide?
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 1364.60 g/mol, XLogP of 6.94, 18 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfinyl-3-pyridinyl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)benzamide;4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 158528883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).