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

C17H21N3O3S — CID 27275305

IUPACethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCCCOc1cccc(/C=N\Nc2nc(C)c(C(=O)OCC)s2)c1
InChIInChI=1S/C17H21N3O3S/c1-4-9-23-14-8-6-7-13(10-14)11-18-20-17-19-12(3)15(24-17)16(21)22-5-2/h6-8,10-11H,4-5,9H2,1-3H3,(H,19,20)/b18-11-
InChIKeyHPDVYUCDKCSADK-WQRHYEAKSA-N
MW347.44 g/mol
LogP3.86
Rot. Bonds8

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

ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate (PubChem CID 27275305) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
PubChem CID27275305
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Nameethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCCCOc1cccc(/C=N\Nc2nc(C)c(C(=O)OCC)s2)c1
InChIInChI=1S/C17H21N3O3S/c1-4-9-23-14-8-6-7-13(10-14)11-18-20-17-19-12(3)15(24-17)16(21)22-5-2/h6-8,10-11H,4-5,9H2,1-3H3,(H,19,20)/b18-11-
InChIKeyHPDVYUCDKCSADK-WQRHYEAKSA-N
XLogP3.86
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.86
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

ethyl 2-[(2Z)-2-[(4-ethoxycarbonylphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 124748851
ethyl 2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 40548236
ethyl 2-[(2Z)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 136919706
ethyl 2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3562990
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 27277699
ethyl 4-methyl-2-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 5398827
ethyl 2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110533597
ethyl 2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 40573895
ethyl 2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 137054747
2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 110340499
N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110533759
ethyl 2-[2-[2-[[3-(3-methylbutoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622973

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate (CID 27275305) is ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate is CCCOc1cccc(/C=N\Nc2nc(C)c(C(=O)OCC)s2)c1.
What is the InChIKey of ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
The InChIKey is HPDVYUCDKCSADK-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-9-23-14-8-6-7-13(10-14)11-18-20-17-19-12(3)15(24-17)16(21)22-5-2/h6-8,10-11H,4-5,9H2,1-3H3,(H,19,20)/b18-11-.
What are the key properties of ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate has a molecular weight of 347.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 27275305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).