tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate

C17H20FN3O4S — CID 153408848

IUPACtert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
SMILESCOc1ccc(F)cc1C(NC(=O)OC(C)(C)C)C(=O)Nc1nccs1
InChIInChI=1S/C17H20FN3O4S/c1-17(2,3)25-16(23)20-13(14(22)21-15-19-7-8-26-15)11-9-10(18)5-6-12(11)24-4/h5-9,13H,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyJJGZYNPIADBFDY-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.50
Rot. Bonds5

About tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate

tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate (PubChem CID 153408848) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
PubChem CID153408848
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Nametert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
SMILESCOc1ccc(F)cc1C(NC(=O)OC(C)(C)C)C(=O)Nc1nccs1
InChIInChI=1S/C17H20FN3O4S/c1-17(2,3)25-16(23)20-13(14(22)21-15-19-7-8-26-15)11-9-10(18)5-6-12(11)24-4/h5-9,13H,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyJJGZYNPIADBFDY-UHFFFAOYSA-N
XLogP3.50
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate with MolForge

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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-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 3205365
N'-(2-Fluorophenyl)-N'-[(isopropylcarbamoyl)(4-methoxyphenyl)methyl]-N-(1,3-thiazol-2-YL)succinamide
CID 3205481
N'-(2-Methoxyethyl)-N'-[(4-methoxyphenyl)[(2-methylbutan-2-YL)carbamoyl]methyl]-N-(1,3-thiazol-2-YL)succinamide
CID 3205555
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
N-Cyclopentylcarbamoylmethyl-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 3205406
N-Cyclohexylcarbamoylmethyl-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 3205439
N-(Isopropylcarbamoyl-methyl)-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 3205474
N-[(1,1-Dimethyl-propylcarbamoyl)-methyl]-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 3205577
N-(2-Methoxy-ethyl)-N-[(2-methoxy-ethylcarbamoyl)-(4-methoxy-phenyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205598
N-(4-Methoxy-benzyl)-N-[(3-methyl-butylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205663

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate (CID 153408848) is tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate is COc1ccc(F)cc1C(NC(=O)OC(C)(C)C)C(=O)Nc1nccs1.
What is the InChIKey of tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The InChIKey is JJGZYNPIADBFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-17(2,3)25-16(23)20-13(14(22)21-15-19-7-8-26-15)11-9-10(18)5-6-12(11)24-4/h5-9,13H,1-4H3,(H,20,23)(H,19,21,22).
What are the key properties of tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate has a molecular weight of 381.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 153408848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).