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

C12H15N3O2S — CID 116970172

IUPAC[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
SMILESCOc1ccc(-c2csc(CNN)n2)cc1OC
InChIInChI=1S/C12H15N3O2S/c1-16-10-4-3-8(5-11(10)17-2)9-7-18-12(15-9)6-14-13/h3-5,7,14H,6,13H2,1-2H3
InChIKeyZMCBFVRSOKNSJG-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.79
Rot. Bonds5

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

[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine (PubChem CID 116970172) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
PubChem CID116970172
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
SMILESCOc1ccc(-c2csc(CNN)n2)cc1OC
InChIInChI=1S/C12H15N3O2S/c1-16-10-4-3-8(5-11(10)17-2)9-7-18-12(15-9)6-14-13/h3-5,7,14H,6,13H2,1-2H3
InChIKeyZMCBFVRSOKNSJG-UHFFFAOYSA-N
XLogP1.79
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.79
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

[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970211
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3299476
4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263481
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970173
[4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970222
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
2,6-dimethoxy-4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]phenol
CID 67214469
4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 60615860
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine?
The IUPAC name of [4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine (CID 116970172) is [4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine is COc1ccc(-c2csc(CNN)n2)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine?
The InChIKey is ZMCBFVRSOKNSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-16-10-4-3-8(5-11(10)17-2)9-7-18-12(15-9)6-14-13/h3-5,7,14H,6,13H2,1-2H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine?
[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine has a molecular weight of 265.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine is sourced from PubChem (CID 116970172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).