2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C20H25N3O2S — CID 90882067

IUPAC2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1sc(N2CCCCCC2)nc1O)N1CCCc2ccccc21
InChIInChI=1S/C20H25N3O2S/c24-18(23-13-7-9-15-8-3-4-10-16(15)23)14-17-19(25)21-20(26-17)22-11-5-1-2-6-12-22/h3-4,8,10,25H,1-2,5-7,9,11-14H2
InChIKeyGJDITVJDPFOUGL-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.75
Rot. Bonds3

About 2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 90882067) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID90882067
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1sc(N2CCCCCC2)nc1O)N1CCCc2ccccc21
InChIInChI=1S/C20H25N3O2S/c24-18(23-13-7-9-15-8-3-4-10-16(15)23)14-17-19(25)21-20(26-17)22-11-5-1-2-6-12-22/h3-4,8,10,25H,1-2,5-7,9,11-14H2
InChIKeyGJDITVJDPFOUGL-UHFFFAOYSA-N
XLogP3.75
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2,6-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]ethanone
CID 90953623
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 45498091
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone
CID 110462924
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43138079
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 31013731
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90609321
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 90882067) is 2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(Cc1sc(N2CCCCCC2)nc1O)N1CCCc2ccccc21.
What is the InChIKey of 2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is GJDITVJDPFOUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-18(23-13-7-9-15-8-3-4-10-16(15)23)14-17-19(25)21-20(26-17)22-11-5-1-2-6-12-22/h3-4,8,10,25H,1-2,5-7,9,11-14H2.
What are the key properties of 2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 371.51 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 90882067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).