methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate

C19H17N3O3S — CID 110534591

IUPACmethyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N/N=C\c2cccc(OC)c2)nc1-c1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-24-15-10-6-7-13(11-15)12-20-22-19-21-16(14-8-4-3-5-9-14)17(26-19)18(23)25-2/h3-12H,1-2H3,(H,21,22)/b20-12-
InChIKeyXGUQGHKZNXTWOK-NDENLUEZSA-N
MW367.43 g/mol
LogP4.05
Rot. Bonds6

About methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate

methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 110534591) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID110534591
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Namemethyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N/N=C\c2cccc(OC)c2)nc1-c1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-24-15-10-6-7-13(11-15)12-20-22-19-21-16(14-8-4-3-5-9-14)17(26-19)18(23)25-2/h3-12H,1-2H3,(H,21,22)/b20-12-
InChIKeyXGUQGHKZNXTWOK-NDENLUEZSA-N
XLogP4.05
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110533491
methyl 2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110532642
methyl 2-[(2Z)-2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110531033
methyl 2-[(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 136781642
methyl 2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110529867
methyl 2-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110531487
methyl 2-[(2Z)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 136781617
methyl 2-[(2Z)-2-[(4-ethoxy-3-nitrophenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110530970
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570
methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate
CID 6303988
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 94848965

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate (CID 110534591) is methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N/N=C\c2cccc(OC)c2)nc1-c1ccccc1.
What is the InChIKey of methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is XGUQGHKZNXTWOK-NDENLUEZSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-24-15-10-6-7-13(11-15)12-20-22-19-21-16(14-8-4-3-5-9-14)17(26-19)18(23)25-2/h3-12H,1-2H3,(H,21,22)/b20-12-.
What are the key properties of methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate?
methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 367.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 110534591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).