methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate

C19H15ClN2O3S — CID 135770257

IUPACmethyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate
SMILESCOC(=O)Cc1sc(/N=C/c2ccccc2O)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O3S/c1-25-17(24)10-16-18(12-6-8-14(20)9-7-12)22-19(26-16)21-11-13-4-2-3-5-15(13)23/h2-9,11,23H,10H2,1H3/b21-11+
InChIKeyHCJLHZAGGWZIAU-SRZZPIQSSA-N
MW386.86 g/mol
LogP4.64
Rot. Bonds5

About methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate

methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate (PubChem CID 135770257) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate
PubChem CID135770257
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Namemethyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate
SMILESCOC(=O)Cc1sc(/N=C/c2ccccc2O)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O3S/c1-25-17(24)10-16-18(12-6-8-14(20)9-7-12)22-19(26-16)21-11-13-4-2-3-5-15(13)23/h2-9,11,23H,10H2,1H3/b21-11+
InChIKeyHCJLHZAGGWZIAU-SRZZPIQSSA-N
XLogP4.64
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate?
The IUPAC name of methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate (CID 135770257) is methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate is COC(=O)Cc1sc(/N=C/c2ccccc2O)nc1-c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate?
The InChIKey is HCJLHZAGGWZIAU-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-25-17(24)10-16-18(12-6-8-14(20)9-7-12)22-19(26-16)21-11-13-4-2-3-5-15(13)23/h2-9,11,23H,10H2,1H3/b21-11+.
What are the key properties of methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate?
methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate has a molecular weight of 386.86 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 135770257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).