[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine

C12H13N3O2S — CID 116970173

IUPAC[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine
SMILESNNCc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C12H13N3O2S/c13-14-6-12-15-9(7-18-12)8-1-2-10-11(5-8)17-4-3-16-10/h1-2,5,7,14H,3-4,6,13H2
InChIKeyMSFNEOHPLOWLIO-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.54
Rot. Bonds3

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

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine (PubChem CID 116970173) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine
PubChem CID116970173
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine
SMILESNNCc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C12H13N3O2S/c13-14-6-12-15-9(7-18-12)8-1-2-10-11(5-8)17-4-3-16-10/h1-2,5,7,14H,3-4,6,13H2
InChIKeyMSFNEOHPLOWLIO-UHFFFAOYSA-N
XLogP1.54
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.54
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965872
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3880406
4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine
CID 125130299
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 5160609
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9174003
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970172
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110318257
[4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970222
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558505
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1,3-thiazol-2-amine
CID 9441746

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine?
The IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine (CID 116970173) is [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine.
What is the SMILES notation for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine?
The canonical SMILES for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine is NNCc1nc(-c2ccc3c(c2)OCCO3)cs1.
What is the InChIKey of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine?
The InChIKey is MSFNEOHPLOWLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-14-6-12-15-9(7-18-12)8-1-2-10-11(5-8)17-4-3-16-10/h1-2,5,7,14H,3-4,6,13H2.
What are the key properties of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine?
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine has a molecular weight of 263.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine is sourced from PubChem (CID 116970173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).