[5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

C13H17N3O2S — CID 79765055

IUPAC[5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCCCOc1ccccc1OCc1cnc(NN)s1
InChIInChI=1S/C13H17N3O2S/c1-2-7-17-11-5-3-4-6-12(11)18-9-10-8-15-13(16-14)19-10/h3-6,8H,2,7,9,14H2,1H3,(H,15,16)
InChIKeyQTRHRCMIJBBCOL-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.80
Rot. Bonds7

About [5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

[5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79765055) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is [5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79765055
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name[5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCCCOc1ccccc1OCc1cnc(NN)s1
InChIInChI=1S/C13H17N3O2S/c1-2-7-17-11-5-3-4-6-12(11)18-9-10-8-15-13(16-14)19-10/h3-6,8H,2,7,9,14H2,1H3,(H,15,16)
InChIKeyQTRHRCMIJBBCOL-UHFFFAOYSA-N
XLogP2.80
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764794
[5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765829
[5-[(2,3-difluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765837
[5-(ethoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765698
[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 107668167
[5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 116689926
[5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765706
[5-[(2-bromo-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764417
[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764788
[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765443
[2-[[2-(propylamino)-1,3-thiazol-5-yl]methoxy]phenyl]methanol
CID 79775065
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile
CID 107660698

Frequently Asked Questions

What is the IUPAC name of [5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79765055) is [5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is CCCOc1ccccc1OCc1cnc(NN)s1.
What is the InChIKey of [5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is QTRHRCMIJBBCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-7-17-11-5-3-4-6-12(11)18-9-10-8-15-13(16-14)19-10/h3-6,8H,2,7,9,14H2,1H3,(H,15,16).
What are the key properties of [5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 279.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79765055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).