O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine

C13H14N2O3S — CID 39377180

IUPACO-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine
SMILESCc1sc(CON)nc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H14N2O3S/c1-8-13(15-12(19-8)7-18-14)9-2-3-10-11(6-9)17-5-4-16-10/h2-3,6H,4-5,7,14H2,1H3
InChIKeyHKJPGKFRNWMRPM-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.28
Rot. Bonds3

About O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine

O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine (PubChem CID 39377180) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine
PubChem CID39377180
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameO-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine
SMILESCc1sc(CON)nc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H14N2O3S/c1-8-13(15-12(19-8)7-18-14)9-2-3-10-11(6-9)17-5-4-16-10/h2-3,6H,4-5,7,14H2,1H3
InChIKeyHKJPGKFRNWMRPM-UHFFFAOYSA-N
XLogP2.28
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine
CID 82044166
6-[2-(2-methoxyethyl)-5-methyl-1,3-thiazol-4-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82059368
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
CID 62483187
O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39390793
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82483994
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole-2,5-diamine
CID 82342225
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
CID 18147513
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965872
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine
CID 43670972
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036157
6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068822
4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole
CID 79840119

Frequently Asked Questions

What is the IUPAC name of O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine?
The IUPAC name of O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine (CID 39377180) is O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine is Cc1sc(CON)nc1-c1ccc2c(c1)OCCO2.
What is the InChIKey of O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine?
The InChIKey is HKJPGKFRNWMRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-13(15-12(19-8)7-18-14)9-2-3-10-11(6-9)17-5-4-16-10/h2-3,6H,4-5,7,14H2,1H3.
What are the key properties of O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine?
O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine has a molecular weight of 278.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine is sourced from PubChem (CID 39377180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).