3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile

C12H12N4OS — CID 107660698

IUPAC3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OCc1cnc(NN)s1
InChIInChI=1S/C12H12N4OS/c1-8-2-3-9(5-13)4-11(8)17-7-10-6-15-12(16-14)18-10/h2-4,6H,7,14H2,1H3,(H,15,16)
InChIKeyRYAMKOBJUJUSFN-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.19
Rot. Bonds4

About 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile

3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile (PubChem CID 107660698) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile
PubChem CID107660698
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OCc1cnc(NN)s1
InChIInChI=1S/C12H12N4OS/c1-8-2-3-9(5-13)4-11(8)17-7-10-6-15-12(16-14)18-10/h2-4,6H,7,14H2,1H3,(H,15,16)
InChIKeyRYAMKOBJUJUSFN-UHFFFAOYSA-N
XLogP2.19
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.19
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-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764668
[5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764785
4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile
CID 107668134
[5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765706
[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764788
[5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765055
[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765443
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662868
[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 107668167
[5-[(4-iodophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79763915
[5-(ethoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765698
[5-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764794

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile?
The IUPAC name of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile (CID 107660698) is 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile.
What is the SMILES notation for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile?
The canonical SMILES for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile is Cc1ccc(C#N)cc1OCc1cnc(NN)s1.
What is the InChIKey of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile?
The InChIKey is RYAMKOBJUJUSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-8-2-3-9(5-13)4-11(8)17-7-10-6-15-12(16-14)18-10/h2-4,6H,7,14H2,1H3,(H,15,16).
What are the key properties of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile?
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile has a molecular weight of 260.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile is sourced from PubChem (CID 107660698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).