4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine

C16H20N2O2S — CID 82527365

IUPAC4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(C2COc3cc(C)c(C)cc3O2)cs1
InChIInChI=1S/C16H20N2O2S/c1-4-5-17-16-18-12(9-21-16)15-8-19-13-6-10(2)11(3)7-14(13)20-15/h6-7,9,15H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyNUFYSWAOCQXKCX-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.09
Rot. Bonds4

About 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine

4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 82527365) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine
PubChem CID82527365
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(C2COc3cc(C)c(C)cc3O2)cs1
InChIInChI=1S/C16H20N2O2S/c1-4-5-17-16-18-12(9-21-16)15-8-19-13-6-10(2)11(3)7-14(13)20-15/h6-7,9,15H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyNUFYSWAOCQXKCX-UHFFFAOYSA-N
XLogP4.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine (CID 82527365) is 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(C2COc3cc(C)c(C)cc3O2)cs1.
What is the InChIKey of 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is NUFYSWAOCQXKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-5-17-16-18-12(9-21-16)15-8-19-13-6-10(2)11(3)7-14(13)20-15/h6-7,9,15H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine?
4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 304.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82527365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).