1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

C15H18N2OS — CID 54912981

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNC(C)c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C15H18N2OS/c1-10-9-19-15(17-10)8-16-11(2)12-3-4-14-13(7-12)5-6-18-14/h3-4,7,9,11,16H,5-6,8H2,1-2H3
InChIKeyWCIAVMKEFFNBCB-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.24
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 54912981) 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)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID54912981
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNC(C)c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C15H18N2OS/c1-10-9-19-15(17-10)8-16-11(2)12-3-4-14-13(7-12)5-6-18-14/h3-4,7,9,11,16H,5-6,8H2,1-2H3
InChIKeyWCIAVMKEFFNBCB-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238411
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913494
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115718022
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648489
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43771401
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105214147
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347474

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 54912981) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is Cc1csc(CNC(C)c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is WCIAVMKEFFNBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-9-19-15(17-10)8-16-11(2)12-3-4-14-13(7-12)5-6-18-14/h3-4,7,9,11,16H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 274.39 g/mol, XLogP of 3.24, 4 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)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 54912981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).