[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate

C14H12N2O4S — CID 95760511

IUPAC[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate
SMILESC[C@@H](OC(=O)c1cscn1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H12N2O4S/c1-8(20-14(18)11-6-21-7-15-11)9-2-3-12-10(4-9)16-13(17)5-19-12/h2-4,6-8H,5H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyRZQXZOQBWJTYIU-MRVPVSSYSA-N
MW304.33 g/mol
LogP2.39
Rot. Bonds3

About [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate

[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate (PubChem CID 95760511) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate
PubChem CID95760511
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate
SMILESC[C@@H](OC(=O)c1cscn1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H12N2O4S/c1-8(20-14(18)11-6-21-7-15-11)9-2-3-12-10(4-9)16-13(17)5-19-12/h2-4,6-8H,5H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyRZQXZOQBWJTYIU-MRVPVSSYSA-N
XLogP2.39
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-[dimethylamino(hydroxy)methyl]-4H-1,4-benzoxazin-3-one
CID 116909589
6-[chloro(dimethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 116915239
6-(1-bromo-2-methylpropyl)-4H-1,4-benzoxazin-3-one
CID 61097770
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009
6-[amino-(4-methylthiophen-3-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 79802167
methyl 3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoate
CID 43322249
2-(2-methoxyethoxy)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 94022978
N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 118138222
6-(1-chloro-2-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085852
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 61499457

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate?
The IUPAC name of [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate (CID 95760511) is [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate.
What is the SMILES notation for [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate?
The canonical SMILES for [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate is C[C@@H](OC(=O)c1cscn1)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate?
The InChIKey is RZQXZOQBWJTYIU-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-8(20-14(18)11-6-21-7-15-11)9-2-3-12-10(4-9)16-13(17)5-19-12/h2-4,6-8H,5H2,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate?
[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate has a molecular weight of 304.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,3-thiazole-4-carboxylate is sourced from PubChem (CID 95760511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).