[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine

C13H17N3OS — CID 116970211

IUPAC[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine
SMILESCOc1ccc(-c2csc(CNN)n2)c(C)c1C
InChIInChI=1S/C13H17N3OS/c1-8-9(2)12(17-3)5-4-10(8)11-7-18-13(16-11)6-15-14/h4-5,7,15H,6,14H2,1-3H3
InChIKeyQJZFENSXEYPKDI-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.40
Rot. Bonds4

About [4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine

[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine (PubChem CID 116970211) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is [4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine.

Molecular Properties

Compound Name[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine
PubChem CID116970211
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine
SMILESCOc1ccc(-c2csc(CNN)n2)c(C)c1C
InChIInChI=1S/C13H17N3OS/c1-8-9(2)12(17-3)5-4-10(8)11-7-18-13(16-11)6-15-14/h4-5,7,15H,6,14H2,1-3H3
InChIKeyQJZFENSXEYPKDI-UHFFFAOYSA-N
XLogP2.40
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
CID 116970066
2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300637
[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970172
[4-(2-methylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 53275090
1-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867574
[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970243
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4212091
2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
CID 116968047
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
[4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine
CID 116904156
6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine
CID 82474066
1-[4-(2-methoxy-5-propylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4009901

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine?
The IUPAC name of [4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine (CID 116970211) is [4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine.
What is the SMILES notation for [4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine?
The canonical SMILES for [4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine is COc1ccc(-c2csc(CNN)n2)c(C)c1C.
What is the InChIKey of [4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine?
The InChIKey is QJZFENSXEYPKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-9(2)12(17-3)5-4-10(8)11-7-18-13(16-11)6-15-14/h4-5,7,15H,6,14H2,1-3H3.
What are the key properties of [4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine?
[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine has a molecular weight of 263.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine is sourced from PubChem (CID 116970211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).