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

C15H17N3O4S — CID 110536795

IUPACmethyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N/N=C\c2ccc(OC)cc2OC)n1
InChIInChI=1S/C15H17N3O4S/c1-20-12-5-4-10(13(7-12)21-2)8-16-18-15-17-11(9-23-15)6-14(19)22-3/h4-5,7-9H,6H2,1-3H3,(H,17,18)/b16-8-
InChIKeyKFDOBKIALKIEIK-PXNMLYILSA-N
MW335.39 g/mol
LogP2.32
Rot. Bonds7

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

methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 110536795) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID110536795
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Namemethyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N/N=C\c2ccc(OC)cc2OC)n1
InChIInChI=1S/C15H17N3O4S/c1-20-12-5-4-10(13(7-12)21-2)8-16-18-15-17-11(9-23-15)6-14(19)22-3/h4-5,7-9H,6H2,1-3H3,(H,17,18)/b16-8-
InChIKeyKFDOBKIALKIEIK-PXNMLYILSA-N
XLogP2.32
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

methyl 2-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110536796
ethyl 2-[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5348591
ethyl 2-[2-[2-[(2,3-difluoro-4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622922
ethyl 2-[2-[2-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624373
methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110539505
ethyl 2-[2-[2-[(5-chloro-2-methoxy-4-methylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168625038
4-[(Z)-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110537667
ethyl 2-[2-[2-[(4-ethoxy-2-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623802
methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110539912
ethyl 2-[2-[2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622674
5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168617724
ethyl 2-[2-[2-[[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623942

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 110536795) is methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N/N=C\c2ccc(OC)cc2OC)n1.
What is the InChIKey of methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is KFDOBKIALKIEIK-PXNMLYILSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-20-12-5-4-10(13(7-12)21-2)8-16-18-15-17-11(9-23-15)6-14(19)22-3/h4-5,7-9H,6H2,1-3H3,(H,17,18)/b16-8-.
What are the key properties of methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 335.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 110536795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).