[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine

C12H13N3O2S — CID 116892108

IUPAC[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine
SMILESCc1cc2c(cc1-c1nc(NN)cs1)OCCO2
InChIInChI=1S/C12H13N3O2S/c1-7-4-9-10(17-3-2-16-9)5-8(7)12-14-11(15-13)6-18-12/h4-6,15H,2-3,13H2,1H3
InChIKeyHYZCFGBJLCOUDF-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.18
Rot. Bonds2

About [2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine

[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine (PubChem CID 116892108) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is [2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine
PubChem CID116892108
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine
SMILESCc1cc2c(cc1-c1nc(NN)cs1)OCCO2
InChIInChI=1S/C12H13N3O2S/c1-7-4-9-10(17-3-2-16-9)5-8(7)12-14-11(15-13)6-18-12/h4-6,15H,2-3,13H2,1H3
InChIKeyHYZCFGBJLCOUDF-UHFFFAOYSA-N
XLogP2.18
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.18
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'}

Analyze [2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-thiol
CID 116889667
[2-(4-tert-butyl-2-methylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892119
N-methyl-1-[2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methanamine
CID 116868246
4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine
CID 82485977
[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892150
5-bromo-1-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-amine
CID 84605817
N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine
CID 116823927
[2-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892118
N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine
CID 116827257
ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 145173589
[4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine
CID 82482950
[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892139

Frequently Asked Questions

What is the IUPAC name of [2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine?
The IUPAC name of [2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine (CID 116892108) is [2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine.
What is the SMILES notation for [2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine?
The canonical SMILES for [2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine is Cc1cc2c(cc1-c1nc(NN)cs1)OCCO2.
What is the InChIKey of [2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine?
The InChIKey is HYZCFGBJLCOUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-4-9-10(17-3-2-16-9)5-8(7)12-14-11(15-13)6-18-12/h4-6,15H,2-3,13H2,1H3.
What are the key properties of [2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine?
[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine has a molecular weight of 263.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine is sourced from PubChem (CID 116892108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).