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

C15H15ClN2OS — CID 43138079

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1nc(CCl)cs1)N1CCCc2ccccc21
InChIInChI=1S/C15H15ClN2OS/c16-9-12-10-20-14(17-12)8-15(19)18-7-3-5-11-4-1-2-6-13(11)18/h1-2,4,6,10H,3,5,7-9H2
InChIKeyPIPVXKAYOUSVRR-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.40
Rot. Bonds3

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 43138079) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID43138079
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1nc(CCl)cs1)N1CCCc2ccccc21
InChIInChI=1S/C15H15ClN2OS/c16-9-12-10-20-14(17-12)8-15(19)18-7-3-5-11-4-1-2-6-13(11)18/h1-2,4,6,10H,3,5,7-9H2
InChIKeyPIPVXKAYOUSVRR-UHFFFAOYSA-N
XLogP3.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 31013731
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 94282565
1-(2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484520
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethanone
CID 110342119
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43138039
4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole
CID 43320468
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone
CID 110462924
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43342832
ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883899
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110649672
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 43138079) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(Cc1nc(CCl)cs1)N1CCCc2ccccc21.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is PIPVXKAYOUSVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-9-12-10-20-14(17-12)8-15(19)18-7-3-5-11-4-1-2-6-13(11)18/h1-2,4,6,10H,3,5,7-9H2.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 306.82 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 43138079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).