1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine

C14H16N2O2S — CID 64542685

IUPAC1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C14H16N2O2S/c1-3-15-9(2)11-7-19-14(16-11)10-4-5-12-13(6-10)18-8-17-12/h4-7,9,15H,3,8H2,1-2H3
InChIKeyDEKLGQMICBKBCN-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.21
Rot. Bonds4

About 1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine

1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine (PubChem CID 64542685) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
PubChem CID64542685
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C14H16N2O2S/c1-3-15-9(2)11-7-19-14(16-11)10-4-5-12-13(6-10)18-8-17-12/h4-7,9,15H,3,8H2,1-2H3
InChIKeyDEKLGQMICBKBCN-UHFFFAOYSA-N
XLogP3.21
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine 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

1-[2-(7-bromo-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544710
1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61280300
3-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylamino]-2-methylbutan-1-ol
CID 111448609
N-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-1-(2-methylphenyl)ethanamine
CID 119114147
(3R)-3-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylamino]-4-methylpentan-1-ol
CID 97318460
N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 64542865
N-ethyl-1-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]ethanamine
CID 64543684
2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
CID 116892273
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
CID 116891760
N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544305
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64543276
N-(1-aminopropan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119584696

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine (CID 64542685) is 1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine is CCNC(C)c1csc(-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The InChIKey is DEKLGQMICBKBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-15-9(2)11-7-19-14(16-11)10-4-5-12-13(6-10)18-8-17-12/h4-7,9,15H,3,8H2,1-2H3.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine has a molecular weight of 276.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 64542685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).