2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide

C18H17N5O2S — CID 168618323

IUPAC2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide
SMILESCc1csc(NN=Cc2ccc(OCC(=O)Nc3ccccn3)cc2)n1
InChIInChI=1S/C18H17N5O2S/c1-13-12-26-18(21-13)23-20-10-14-5-7-15(8-6-14)25-11-17(24)22-16-4-2-3-9-19-16/h2-10,12H,11H2,1H3,(H,21,23)(H,19,22,24)
InChIKeyRRIFRTLBHJYWFB-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.31
Rot. Bonds7

About 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide

2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide (PubChem CID 168618323) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide
PubChem CID168618323
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide
SMILESCc1csc(NN=Cc2ccc(OCC(=O)Nc3ccccn3)cc2)n1
InChIInChI=1S/C18H17N5O2S/c1-13-12-26-18(21-13)23-20-10-14-5-7-15(8-6-14)25-11-17(24)22-16-4-2-3-9-19-16/h2-10,12H,11H2,1H3,(H,21,23)(H,19,22,24)
InChIKeyRRIFRTLBHJYWFB-UHFFFAOYSA-N
XLogP3.31
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
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

N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565
N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168578951
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 71950877
methyl 2-[[2-[2-methoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetyl]amino]benzoate
CID 168618935
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[2-methoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168618922
N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168618861
[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 168618466
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618498
[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 74170709
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
N-[[4-(4-chlorophenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617133

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide (CID 168618323) is 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide is Cc1csc(NN=Cc2ccc(OCC(=O)Nc3ccccn3)cc2)n1.
What is the InChIKey of 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide?
The InChIKey is RRIFRTLBHJYWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-13-12-26-18(21-13)23-20-10-14-5-7-15(8-6-14)25-11-17(24)22-16-4-2-3-9-19-16/h2-10,12H,11H2,1H3,(H,21,23)(H,19,22,24).
What are the key properties of 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide?
2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide has a molecular weight of 367.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 168618323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).