N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide

C13H13N3O3S — CID 137249091

IUPACN-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1/N=C/c1sc(NC(C)=O)nc1O
InChIInChI=1S/C13H13N3O3S/c1-8(17)15-13-16-12(18)11(20-13)7-14-9-5-3-4-6-10(9)19-2/h3-7,18H,1-2H3,(H,15,16,17)/b14-7+
InChIKeyTUWZBWRAWAFELC-VGOFMYFVSA-N
MW291.33 g/mol
LogP2.57
Rot. Bonds4

About N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide

N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 137249091) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID137249091
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1/N=C/c1sc(NC(C)=O)nc1O
InChIInChI=1S/C13H13N3O3S/c1-8(17)15-13-16-12(18)11(20-13)7-14-9-5-3-4-6-10(9)19-2/h3-7,18H,1-2H3,(H,15,16,17)/b14-7+
InChIKeyTUWZBWRAWAFELC-VGOFMYFVSA-N
XLogP2.57
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-methoxyphenyl)iminomethyl]phenyl]acetamide
CID 102509631
1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
CID 177379986
4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione
CID 135398859
2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol
CID 162395917
[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate
CID 658724
N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]acetamide
CID 164908733
3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione
CID 135398845
N-(2-methoxyphenyl)-1-quinolin-2-ylmethanimine
CID 1284720
N-[5-[1-(2-methoxyphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133162457
(2R)-2-[2-methoxy-6-[(2-methoxyphenyl)iminomethyl]phenoxy]propanoic acid
CID 126243355
methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 137068992
1-(2-bromophenyl)-N-(2-methoxyphenyl)methanimine
CID 71359959

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide (CID 137249091) is N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide is COc1ccccc1/N=C/c1sc(NC(C)=O)nc1O.
What is the InChIKey of N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is TUWZBWRAWAFELC-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8(17)15-13-16-12(18)11(20-13)7-14-9-5-3-4-6-10(9)19-2/h3-7,18H,1-2H3,(H,15,16,17)/b14-7+.
What are the key properties of N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide?
N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 291.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 137249091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).