4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole

C15H17ClN2S — CID 43320468

IUPAC4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole
SMILESClCc1csc(CCN2CCCc3ccccc32)n1
InChIInChI=1S/C15H17ClN2S/c16-10-13-11-19-15(17-13)7-9-18-8-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,11H,3,5,7-10H2
InChIKeyBXSDJLAKTIWYNT-UHFFFAOYSA-N
MW292.84 g/mol
LogP3.88
Rot. Bonds4

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

4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole (PubChem CID 43320468) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole
PubChem CID43320468
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole
SMILESClCc1csc(CCN2CCCc3ccccc32)n1
InChIInChI=1S/C15H17ClN2S/c16-10-13-11-19-15(17-13)7-9-18-8-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,11H,3,5,7-10H2
InChIKeyBXSDJLAKTIWYNT-UHFFFAOYSA-N
XLogP3.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 53.88
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

4-(chloromethyl)-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-1,3-thiazole
CID 63153110
4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole
CID 63777501
4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65484060
4-(chloromethyl)-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,3-thiazole
CID 62206798
4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole
CID 43320414
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43138079
1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]azepan-2-one
CID 43138414
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43342832
2-[3-(azocan-1-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 43320490
2-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 61433252
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 4795881

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole (CID 43320468) is 4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole is ClCc1csc(CCN2CCCc3ccccc32)n1.
What is the InChIKey of 4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is BXSDJLAKTIWYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c16-10-13-11-19-15(17-13)7-9-18-8-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,11H,3,5,7-10H2.
What are the key properties of 4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 292.84 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 43320468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).