4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole

C13H13ClN2S — CID 83152798

IUPAC4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole
SMILESCC1CCc2ccccc2N1c1nc(Cl)cs1
InChIInChI=1S/C13H13ClN2S/c1-9-6-7-10-4-2-3-5-11(10)16(9)13-15-12(14)8-17-13/h2-5,8-9H,6-7H2,1H3
InChIKeyREBMUWFFWQLRKG-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.27
Rot. Bonds1

About 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole

4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole (PubChem CID 83152798) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole
PubChem CID83152798
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole
SMILESCC1CCc2ccccc2N1c1nc(Cl)cs1
InChIInChI=1S/C13H13ClN2S/c1-9-6-7-10-4-2-3-5-11(10)16(9)13-15-12(14)8-17-13/h2-5,8-9H,6-7H2,1H3
InChIKeyREBMUWFFWQLRKG-UHFFFAOYSA-N
XLogP4.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole (CID 83152798) is 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole is CC1CCc2ccccc2N1c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole?
The InChIKey is REBMUWFFWQLRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c1-9-6-7-10-4-2-3-5-11(10)16(9)13-15-12(14)8-17-13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole?
4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole has a molecular weight of 264.78 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole is sourced from PubChem (CID 83152798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).