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

C16H19ClN2S — CID 43320414

IUPAC4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole
SMILESCC1CCc2ccccc2N1CCc1nc(CCl)cs1
InChIInChI=1S/C16H19ClN2S/c1-12-6-7-13-4-2-3-5-15(13)19(12)9-8-16-18-14(10-17)11-20-16/h2-5,11-12H,6-10H2,1H3
InChIKeyPENFVQDTIMMMQL-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.27
Rot. Bonds4

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

4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole (PubChem CID 43320414) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole
PubChem CID43320414
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole
SMILESCC1CCc2ccccc2N1CCc1nc(CCl)cs1
InChIInChI=1S/C16H19ClN2S/c1-12-6-7-13-4-2-3-5-15(13)19(12)9-8-16-18-14(10-17)11-20-16/h2-5,11-12H,6-10H2,1H3
InChIKeyPENFVQDTIMMMQL-UHFFFAOYSA-N
XLogP4.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole (CID 43320414) is 4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole is CC1CCc2ccccc2N1CCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is PENFVQDTIMMMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-12-6-7-13-4-2-3-5-15(13)19(12)9-8-16-18-14(10-17)11-20-16/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 306.86 g/mol, XLogP of 4.27, 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-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 43320414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).