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

C11H10N2O2S — CID 616435

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C11H10N2O2S/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)
InChIKeyQNDNSJKGUGRQDK-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.16
Rot. Bonds1

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

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine (PubChem CID 616435) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
PubChem CID616435
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C11H10N2O2S/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)
InChIKeyQNDNSJKGUGRQDK-UHFFFAOYSA-N
XLogP2.16
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine 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-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
4-Benzo(1,3)dioxol-5-yl-thiazol-2-ylamine
CID 727580
Enoxamast
CID 194595
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2,3-Dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
CID 2758374
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
4-(2-Amino-1,3-thiazol-4-yl)benzene-1,2-diol
CID 762762
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
4-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 653894
4-[3-(Trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 2760731
4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine (CID 616435) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc3c(c2)OCCO3)cs1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is QNDNSJKGUGRQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/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).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 234.28 g/mol, XLogP of 2.16, 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 is sourced from PubChem (CID 616435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).