ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate

C19H18N4O3S — CID 86650851

IUPACethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate
SMILESCCOC(=O)c1ccccc1NNC(=O)c1ccc(Nc2nccs2)cc1
InChIInChI=1S/C19H18N4O3S/c1-2-26-18(25)15-5-3-4-6-16(15)22-23-17(24)13-7-9-14(10-8-13)21-19-20-11-12-27-19/h3-12,22H,2H2,1H3,(H,20,21)(H,23,24)
InChIKeyCSEWDOREIOXHIN-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.82
Rot. Bonds7

About ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate

ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate (PubChem CID 86650851) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate
PubChem CID86650851
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Nameethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate
SMILESCCOC(=O)c1ccccc1NNC(=O)c1ccc(Nc2nccs2)cc1
InChIInChI=1S/C19H18N4O3S/c1-2-26-18(25)15-5-3-4-6-16(15)22-23-17(24)13-7-9-14(10-8-13)21-19-20-11-12-27-19/h3-12,22H,2H2,1H3,(H,20,21)(H,23,24)
InChIKeyCSEWDOREIOXHIN-UHFFFAOYSA-N
XLogP3.82
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate
CID 58137754
ethyl 4-[[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 19146330
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162871
ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate
CID 21440022
ethyl 2-[[2-(4-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109265855
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-amino-3-(1,3-thiazol-2-ylmethylamino)benzoate
CID 113332759
ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
CID 123452552
ethyl 2-[[6-[(4-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037011
ethyl 2-[[2-(4-chloroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177554
ethyl 2-(4-chloroanilino)benzoate
CID 82535773

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate?
The IUPAC name of ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate (CID 86650851) is ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate.
What is the SMILES notation for ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate?
The canonical SMILES for ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate is CCOC(=O)c1ccccc1NNC(=O)c1ccc(Nc2nccs2)cc1.
What is the InChIKey of ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate?
The InChIKey is CSEWDOREIOXHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-2-26-18(25)15-5-3-4-6-16(15)22-23-17(24)13-7-9-14(10-8-13)21-19-20-11-12-27-19/h3-12,22H,2H2,1H3,(H,20,21)(H,23,24).
What are the key properties of ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate?
ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate has a molecular weight of 382.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-(1,3-thiazol-2-ylamino)benzoyl]hydrazinyl]benzoate is sourced from PubChem (CID 86650851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).