2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate

C16H18N2O2S — CID 71869335

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1ncsc1C(=O)OCCN1CCCc2ccccc21
InChIInChI=1S/C16H18N2O2S/c1-12-15(21-11-17-12)16(19)20-10-9-18-8-4-6-13-5-2-3-7-14(13)18/h2-3,5,7,11H,4,6,8-10H2,1H3
InChIKeyOXUCLYTZIMAXHG-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.06
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate

2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 71869335) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate
PubChem CID71869335
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1ncsc1C(=O)OCCN1CCCc2ccccc21
InChIInChI=1S/C16H18N2O2S/c1-12-15(21-11-17-12)16(19)20-10-9-18-8-4-6-13-5-2-3-7-14(13)18/h2-3,5,7,11H,4,6,8-10H2,1H3
InChIKeyOXUCLYTZIMAXHG-UHFFFAOYSA-N
XLogP3.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate (CID 71869335) is 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate is Cc1ncsc1C(=O)OCCN1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is OXUCLYTZIMAXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-15(21-11-17-12)16(19)20-10-9-18-8-4-6-13-5-2-3-7-14(13)18/h2-3,5,7,11H,4,6,8-10H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate?
2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 302.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71869335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).