methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

C13H11ClFN3O2S — CID 110537229

IUPACmethyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N/N=C\c2c(F)cccc2Cl)n1
InChIInChI=1S/C13H11ClFN3O2S/c1-20-12(19)5-8-7-21-13(17-8)18-16-6-9-10(14)3-2-4-11(9)15/h2-4,6-7H,5H2,1H3,(H,17,18)/b16-6-
InChIKeyGVQBJTONIXFYHM-SOFYXZRVSA-N
MW327.77 g/mol
LogP3.10
Rot. Bonds5

About methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 110537229) has the molecular formula C13H11ClFN3O2S and a molecular weight of 327.77 g/mol. Its IUPAC name is methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID110537229
Molecular FormulaC13H11ClFN3O2S
Molecular Weight327.77 g/mol
Exact Mass327.02
IUPAC Namemethyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N/N=C\c2c(F)cccc2Cl)n1
InChIInChI=1S/C13H11ClFN3O2S/c1-20-12(19)5-8-7-21-13(17-8)18-16-6-9-10(14)3-2-4-11(9)15/h2-4,6-7H,5H2,1H3,(H,17,18)/b16-6-
InChIKeyGVQBJTONIXFYHM-SOFYXZRVSA-N
XLogP3.10
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[2-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622726
methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110539912
ethyl 2-[2-[2-[(6-chloro-2,4-difluoro-3-methylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168625351
ethyl 2-[2-[2-[(4-chloro-3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622672
ethyl 2-[2-[2-[(3-chloro-4-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622624
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336365
4-[(Z)-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110537667
methyl 2-[2-[(2Z)-2-[(3,5-dichloro-4-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110532323
2-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-fluorobenzoic acid
CID 168625408
methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110539505
ethyl 2-[2-[2-[(2,3-difluoro-6-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168625494
ethyl 2-[2-[2-[[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623174

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 110537229) is methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N/N=C\c2c(F)cccc2Cl)n1.
What is the InChIKey of methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is GVQBJTONIXFYHM-SOFYXZRVSA-N. The full InChI is InChI=1S/C13H11ClFN3O2S/c1-20-12(19)5-8-7-21-13(17-8)18-16-6-9-10(14)3-2-4-11(9)15/h2-4,6-7H,5H2,1H3,(H,17,18)/b16-6-.
What are the key properties of methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 327.77 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 110537229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).