1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one

C16H19N5O2S — CID 168627759

IUPAC1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESNc1csc(NN=Cc2ccccc2OCCN2CCCC2=O)n1
InChIInChI=1S/C16H19N5O2S/c17-14-11-24-16(19-14)20-18-10-12-4-1-2-5-13(12)23-9-8-21-7-3-6-15(21)22/h1-2,4-5,10-11H,3,6-9,17H2,(H,19,20)
InChIKeyQEOHPYYTRSLPEM-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.17
Rot. Bonds7

About 1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one

1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 168627759) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one
PubChem CID168627759
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESNc1csc(NN=Cc2ccccc2OCCN2CCCC2=O)n1
InChIInChI=1S/C16H19N5O2S/c17-14-11-24-16(19-14)20-18-10-12-4-1-2-5-13(12)23-9-8-21-7-3-6-15(21)22/h1-2,4-5,10-11H,3,6-9,17H2,(H,19,20)
InChIKeyQEOHPYYTRSLPEM-UHFFFAOYSA-N
XLogP2.17
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.17
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

1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one
CID 168530961
2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 168627059
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625942
2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine
CID 168591840
1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one
CID 168630703
2-N-[[2-(4-fluorophenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626295
2-N-[[2-(piperidin-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625974
2-N-[[2-(4-tert-butylphenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627709
4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168578832
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 42459776
ethyl 2-[2-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624221
4-methyl-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170462

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one (CID 168627759) is 1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one is Nc1csc(NN=Cc2ccccc2OCCN2CCCC2=O)n1.
What is the InChIKey of 1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is QEOHPYYTRSLPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c17-14-11-24-16(19-14)20-18-10-12-4-1-2-5-13(12)23-9-8-21-7-3-6-15(21)22/h1-2,4-5,10-11H,3,6-9,17H2,(H,19,20).
What are the key properties of 1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 345.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168627759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).