2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone

C17H21N5O2S — CID 168627059

IUPAC2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone
SMILESNc1csc(NN=Cc2ccccc2OCC(=O)N2CCCCC2)n1
InChIInChI=1S/C17H21N5O2S/c18-15-12-25-17(20-15)21-19-10-13-6-2-3-7-14(13)24-11-16(23)22-8-4-1-5-9-22/h2-3,6-7,10,12H,1,4-5,8-9,11,18H2,(H,20,21)
InChIKeyILRNGXQRJIJGIU-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.56
Rot. Bonds6

About 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone

2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone (PubChem CID 168627059) has the molecular formula C17H21N5O2S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone
PubChem CID168627059
Molecular FormulaC17H21N5O2S
Molecular Weight359.45 g/mol
Exact Mass359.14
IUPAC Name2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone
SMILESNc1csc(NN=Cc2ccccc2OCC(=O)N2CCCCC2)n1
InChIInChI=1S/C17H21N5O2S/c18-15-12-25-17(20-15)21-19-10-13-6-2-3-7-14(13)24-11-16(23)22-8-4-1-5-9-22/h2-3,6-7,10,12H,1,4-5,8-9,11,18H2,(H,20,21)
InChIKeyILRNGXQRJIJGIU-UHFFFAOYSA-N
XLogP2.56
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.56
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

ethyl 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 168627585
1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one
CID 168627759
ethyl 2-[2-[2-[[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623761
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625942
2-N-[[2-(piperidin-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625974
4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168578832
2-N-[[2-(4-fluorophenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626295
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 4992160
ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate
CID 168628165
2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine
CID 168625528
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28857676
2-N-[[2-(4-tert-butylphenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627709

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone (CID 168627059) is 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone is Nc1csc(NN=Cc2ccccc2OCC(=O)N2CCCCC2)n1.
What is the InChIKey of 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is ILRNGXQRJIJGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c18-15-12-25-17(20-15)21-19-10-13-6-2-3-7-14(13)24-11-16(23)22-8-4-1-5-9-22/h2-3,6-7,10,12H,1,4-5,8-9,11,18H2,(H,20,21).
What are the key properties of 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone?
2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 359.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 168627059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).