2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

C17H22N2OS — CID 105179826

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCNC(CC1CCOc2ccccc21)c1scnc1C
InChIInChI=1S/C17H22N2OS/c1-3-18-15(17-12(2)19-11-21-17)10-13-8-9-20-16-7-5-4-6-14(13)16/h4-7,11,13,15,18H,3,8-10H2,1-2H3
InChIKeyYZPSHYQEBBLIIU-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.06
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 105179826) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID105179826
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCNC(CC1CCOc2ccccc21)c1scnc1C
InChIInChI=1S/C17H22N2OS/c1-3-18-15(17-12(2)19-11-21-17)10-13-8-9-20-16-7-5-4-6-14(13)16/h4-7,11,13,15,18H,3,8-10H2,1-2H3
InChIKeyYZPSHYQEBBLIIU-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105034371
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104770198
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104770367
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 104770536
1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770384
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104770575
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105333585
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 104770351
[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 103408767

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 105179826) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is CCNC(CC1CCOc2ccccc21)c1scnc1C.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is YZPSHYQEBBLIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-18-15(17-12(2)19-11-21-17)10-13-8-9-20-16-7-5-4-6-14(13)16/h4-7,11,13,15,18H,3,8-10H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 302.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105179826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).