methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate

C12H10N2O4S — CID 137068992

IUPACmethyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate
SMILESCOC(=O)c1ccccc1/N=C/c1sc(=O)[nH]c1O
InChIInChI=1S/C12H10N2O4S/c1-18-11(16)7-4-2-3-5-8(7)13-6-9-10(15)14-12(17)19-9/h2-6,15H,1H3,(H,14,17)/b13-6+
InChIKeyMKUQKMNGSDMUOK-AWNIVKPZSA-N
MW278.29 g/mol
LogP1.68
Rot. Bonds3

About methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate

methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate (PubChem CID 137068992) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate
PubChem CID137068992
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Namemethyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate
SMILESCOC(=O)c1ccccc1/N=C/c1sc(=O)[nH]c1O
InChIInChI=1S/C12H10N2O4S/c1-18-11(16)7-4-2-3-5-8(7)13-6-9-10(15)14-12(17)19-9/h2-6,15H,1H3,(H,14,17)/b13-6+
InChIKeyMKUQKMNGSDMUOK-AWNIVKPZSA-N
XLogP1.68
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate with MolForge

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Related Compounds

methyl 2-[(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 4570410
methyl 2-[(10-hydroxyphenanthren-9-yl)methylideneamino]benzoate
CID 135613003
methyl 2-[(5-chloro-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 136996242
methyl 2-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzoate
CID 135485025
methyl 2-[(2-nitrophenyl)methylideneamino]benzoate
CID 11055192
methyl 2-[(cyanoamino)methylideneamino]benzoate
CID 12683019
methyl 2-(2,2-diphenylethylideneamino)benzoate
CID 54471111
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 137068982
ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
CID 135657427
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate
CID 129361915

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate?
The IUPAC name of methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate (CID 137068992) is methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate.
What is the SMILES notation for methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate?
The canonical SMILES for methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate is COC(=O)c1ccccc1/N=C/c1sc(=O)[nH]c1O.
What is the InChIKey of methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate?
The InChIKey is MKUQKMNGSDMUOK-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-18-11(16)7-4-2-3-5-8(7)13-6-9-10(15)14-12(17)19-9/h2-6,15H,1H3,(H,14,17)/b13-6+.
What are the key properties of methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate?
methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate has a molecular weight of 278.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate is sourced from PubChem (CID 137068992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).