[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate

C20H17N3O2S — CID 168578721

IUPAC[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate
SMILESO=C(Oc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1)C1CC1
InChIInChI=1S/C20H17N3O2S/c24-19(16-8-9-16)25-17-10-6-14(7-11-17)12-21-23-20-22-18(13-26-20)15-4-2-1-3-5-15/h1-7,10-13,16H,8-9H2,(H,22,23)
InChIKeyAWCQKKNGAZHSSD-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.57
Rot. Bonds6

About [4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate

[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate (PubChem CID 168578721) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is [4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate
PubChem CID168578721
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate
SMILESO=C(Oc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1)C1CC1
InChIInChI=1S/C20H17N3O2S/c24-19(16-8-9-16)25-17-10-6-14(7-11-17)12-21-23-20-22-18(13-26-20)15-4-2-1-3-5-15/h1-7,10-13,16H,8-9H2,(H,22,23)
InChIKeyAWCQKKNGAZHSSD-UHFFFAOYSA-N
XLogP4.57
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.57
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 73384910
[4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 91823828
[4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 110341128
[4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 17132309
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 7822015
4-phenyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 27273511
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168576884
methyl 4-[2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethoxy]benzoate
CID 168577769
N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168578951
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate?
The IUPAC name of [4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate (CID 168578721) is [4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate.
What is the SMILES notation for [4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate?
The canonical SMILES for [4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate is O=C(Oc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1)C1CC1.
What is the InChIKey of [4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate?
The InChIKey is AWCQKKNGAZHSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-19(16-8-9-16)25-17-10-6-14(7-11-17)12-21-23-20-22-18(13-26-20)15-4-2-1-3-5-15/h1-7,10-13,16H,8-9H2,(H,22,23).
What are the key properties of [4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate?
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate has a molecular weight of 363.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate is sourced from PubChem (CID 168578721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).