1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine

C15H18N2OS — CID 105019746

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nc(CC(N)c2ccc3c(c2)CCO3)sc1C
InChIInChI=1S/C15H18N2OS/c1-9-10(2)19-15(17-9)8-13(16)11-3-4-14-12(7-11)5-6-18-14/h3-4,7,13H,5-6,8,16H2,1-2H3
InChIKeyAYBORUXTJITUQA-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.94
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105019746) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105019746
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nc(CC(N)c2ccc3c(c2)CCO3)sc1C
InChIInChI=1S/C15H18N2OS/c1-9-10(2)19-15(17-9)8-13(16)11-3-4-14-12(7-11)5-6-18-14/h3-4,7,13H,5-6,8,16H2,1-2H3
InChIKeyAYBORUXTJITUQA-UHFFFAOYSA-N
XLogP2.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019626
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105034972
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methylphenyl)ethanamine
CID 55068178
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 63046819
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237495
1-(4-bromo-3-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019849
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999613

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine (CID 105019746) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine is Cc1nc(CC(N)c2ccc3c(c2)CCO3)sc1C.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is AYBORUXTJITUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9-10(2)19-15(17-9)8-13(16)11-3-4-14-12(7-11)5-6-18-14/h3-4,7,13H,5-6,8,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 274.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105019746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).