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

C15H18N2OS — CID 104841205

IUPAC1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(C2Cc3ccccc3O2)sc1CNC
InChIInChI=1S/C15H18N2OS/c1-3-11-14(9-16-2)19-15(17-11)13-8-10-6-4-5-7-12(10)18-13/h4-7,13,16H,3,8-9H2,1-2H3
InChIKeyVHWCHKZVAPNPAN-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.10
Rot. Bonds4

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

1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 104841205) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID104841205
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(C2Cc3ccccc3O2)sc1CNC
InChIInChI=1S/C15H18N2OS/c1-3-11-14(9-16-2)19-15(17-11)13-8-10-6-4-5-7-12(10)18-13/h4-7,13,16H,3,8-9H2,1-2H3
InChIKeyVHWCHKZVAPNPAN-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363489
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841389
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365037
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841063
N-[[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841603
N-[[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842100
3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole
CID 61278537
5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole
CID 102943520
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62763943
N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 65351880
1-[2-(2,3-dihydro-1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364832
N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137024

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 104841205) is 1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(C2Cc3ccccc3O2)sc1CNC.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is VHWCHKZVAPNPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-11-14(9-16-2)19-15(17-11)13-8-10-6-4-5-7-12(10)18-13/h4-7,13,16H,3,8-9H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 274.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 104841205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).