(3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H17N3O2S — CID 51499478

IUPAC(3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(C[C@H]1CSc2nccc(=O)n21)N1CCCc2ccccc21
InChIInChI=1S/C17H17N3O2S/c21-15-7-8-18-17-20(15)13(11-23-17)10-16(22)19-9-3-5-12-4-1-2-6-14(12)19/h1-2,4,6-8,13H,3,5,9-11H2/t13-/m0/s1
InChIKeyZLIPFPRGXRVDOU-ZDUSSCGKSA-N
MW327.41 g/mol
LogP2.26
Rot. Bonds2

About (3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

(3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51499478) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name(3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID51499478
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(C[C@H]1CSc2nccc(=O)n21)N1CCCc2ccccc21
InChIInChI=1S/C17H17N3O2S/c21-15-7-8-18-17-20(15)13(11-23-17)10-16(22)19-9-3-5-12-4-1-2-6-14(12)19/h1-2,4,6-8,13H,3,5,9-11H2/t13-/m0/s1
InChIKeyZLIPFPRGXRVDOU-ZDUSSCGKSA-N
XLogP2.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16867775
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16868661
3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16867716
(3S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 30608315
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
CID 110857116
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone
CID 110462924
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-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 17424794
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone
CID 2106501

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of (3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 51499478) is (3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for (3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for (3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(C[C@H]1CSc2nccc(=O)n21)N1CCCc2ccccc21.
What is the InChIKey of (3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZLIPFPRGXRVDOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-15-7-8-18-17-20(15)13(11-23-17)10-16(22)19-9-3-5-12-4-1-2-6-14(12)19/h1-2,4,6-8,13H,3,5,9-11H2/t13-/m0/s1.
What are the key properties of (3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
(3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 327.41 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51499478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).