4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride

C11H11ClN2O2S — CID 6603336

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C11H10N2O2S.ClH/c12-11-13-8(6-16-11)7-1-2-9-10(5-7)15-4-3-14-9;/h1-2,5-6H,3-4H2,(H2,12,13);1H
InChIKeyVBAFHESUNIEPDS-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.59
Rot. Bonds1

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 6603336) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID6603336
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C11H10N2O2S.ClH/c12-11-13-8(6-16-11)7-1-2-9-10(5-7)15-4-3-14-9;/h1-2,5-6H,3-4H2,(H2,12,13);1H
InChIKeyVBAFHESUNIEPDS-UHFFFAOYSA-N
XLogP2.59
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride (CID 6603336) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1nc(-c2ccc3c(c2)OCCO3)cs1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is VBAFHESUNIEPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S.ClH/c12-11-13-8(6-16-11)7-1-2-9-10(5-7)15-4-3-14-9;/h1-2,5-6H,3-4H2,(H2,12,13);1H.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 270.74 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 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-amine;hydrochloride is sourced from PubChem (CID 6603336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).