[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid

C13H12FN3O4S — CID 137353153

IUPAC[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
SMILESCOc1ccc(F)cc1C(NC(=O)O)C(=O)Nc1nccs1
InChIInChI=1S/C13H12FN3O4S/c1-21-9-3-2-7(14)6-8(9)10(16-13(19)20)11(18)17-12-15-4-5-22-12/h2-6,10,16H,1H3,(H,19,20)(H,15,17,18)
InChIKeyTZGBYPVEMWGENG-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.24
Rot. Bonds5

About [1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid

[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid (PubChem CID 137353153) has the molecular formula C13H12FN3O4S and a molecular weight of 325.32 g/mol. Its IUPAC name is [1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid.

Molecular Properties

Compound Name[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
PubChem CID137353153
Molecular FormulaC13H12FN3O4S
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC Name[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
SMILESCOc1ccc(F)cc1C(NC(=O)O)C(=O)Nc1nccs1
InChIInChI=1S/C13H12FN3O4S/c1-21-9-3-2-7(14)6-8(9)10(16-13(19)20)11(18)17-12-15-4-5-22-12/h2-6,10,16H,1H3,(H,19,20)(H,15,17,18)
InChIKeyTZGBYPVEMWGENG-UHFFFAOYSA-N
XLogP2.24
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5S)-5-[[(2R,3S)-3-[formyl(hydroxy)amino]-2-(2-methylpropyl)hexanoyl]amino]-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]-3-methoxybenzamide
CID 44531136
N'-(2-fluorophenyl)-N'-[1-(4-methoxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205481
3-Methoxy-N-[1-(thiazol-2-ylcarbamoylmethyl)-piperidin-4-yl]-benzamide
CID 3220977
N-(2-methoxybenzyl)-N'-(1,3-thiazol-2-yl)ethanediamide
CID 2926552
2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2787065
N-(Isopropylcarbamoyl-methyl)-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 3205474
N-(2-Methoxy-ethyl)-N-[(2-methoxy-ethylcarbamoyl)-(4-methoxy-phenyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205598
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
N-(2-Methoxy-ethyl)-N-[(4-methoxy-phenyl)-(3-methyl-butylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205641
2-(2-Methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 590485
2-(5-fluoro-2-hydroxyphenyl)-2-((2-iodobenzyl)amino)-N-(thiazol-2-yl)acetamide
CID 170794718
t-Butyl (t-butoxycarbonyl)(1-(5-fluoro-2-hydroxyphenyl)-2-oxo-2-(thiazol-2-ylamino)ethyl)carbamate
CID 170794746

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid?
The IUPAC name of [1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid (CID 137353153) is [1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid.
What is the SMILES notation for [1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid?
The canonical SMILES for [1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid is COc1ccc(F)cc1C(NC(=O)O)C(=O)Nc1nccs1.
What is the InChIKey of [1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid?
The InChIKey is TZGBYPVEMWGENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O4S/c1-21-9-3-2-7(14)6-8(9)10(16-13(19)20)11(18)17-12-15-4-5-22-12/h2-6,10,16H,1H3,(H,19,20)(H,15,17,18).
What are the key properties of [1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid?
[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid has a molecular weight of 325.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid is sourced from PubChem (CID 137353153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).