1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone

C14H14N2OS — CID 110462924

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1cscn1)N1CCCc2ccccc21
InChIInChI=1S/C14H14N2OS/c17-14(8-12-9-18-10-15-12)16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,9-10H,3,5,7-8H2
InChIKeySXRZVBLAKPCBCJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.66
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone (PubChem CID 110462924) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone
PubChem CID110462924
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1cscn1)N1CCCc2ccccc21
InChIInChI=1S/C14H14N2OS/c17-14(8-12-9-18-10-15-12)16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,9-10H,3,5,7-8H2
InChIKeySXRZVBLAKPCBCJ-UHFFFAOYSA-N
XLogP2.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone
CID 71968022
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-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethanone
CID 110342119
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 17436853
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
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
ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883899
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768320
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 94282565
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone (CID 110462924) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone is O=C(Cc1cscn1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone?
The InChIKey is SXRZVBLAKPCBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14(8-12-9-18-10-15-12)16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,9-10H,3,5,7-8H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone has a molecular weight of 258.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 110462924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).