2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine

C15H21N3OS — CID 82026658

IUPAC2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCOc1ccccc1C(c1nc(CCN)cs1)N(C)C
InChIInChI=1S/C15H21N3OS/c1-18(2)14(12-6-4-5-7-13(12)19-3)15-17-11(8-9-16)10-20-15/h4-7,10,14H,8-9,16H2,1-3H3
InChIKeyDWPGFSNLENWFIP-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.30
Rot. Bonds6

About 2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine

2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 82026658) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID82026658
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCOc1ccccc1C(c1nc(CCN)cs1)N(C)C
InChIInChI=1S/C15H21N3OS/c1-18(2)14(12-6-4-5-7-13(12)19-3)15-17-11(8-9-16)10-20-15/h4-7,10,14H,8-9,16H2,1-3H3
InChIKeyDWPGFSNLENWFIP-UHFFFAOYSA-N
XLogP2.30
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine 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 2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine (CID 82026658) is 2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine is COc1ccccc1C(c1nc(CCN)cs1)N(C)C.
What is the InChIKey of 2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is DWPGFSNLENWFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-18(2)14(12-6-4-5-7-13(12)19-3)15-17-11(8-9-16)10-20-15/h4-7,10,14H,8-9,16H2,1-3H3.
What are the key properties of 2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 291.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 82026658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).