2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid

C14H14N2O2S — CID 80568097

IUPAC2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc2c(c1)CCCN2c1nc(C(=O)O)cs1
InChIInChI=1S/C14H14N2O2S/c1-9-4-5-12-10(7-9)3-2-6-16(12)14-15-11(8-19-14)13(17)18/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)
InChIKeyYOPOUKFGJIWOHO-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.23
Rot. Bonds2

About 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid

2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 80568097) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID80568097
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc2c(c1)CCCN2c1nc(C(=O)O)cs1
InChIInChI=1S/C14H14N2O2S/c1-9-4-5-12-10(7-9)3-2-6-16(12)14-15-11(8-19-14)13(17)18/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)
InChIKeyYOPOUKFGJIWOHO-UHFFFAOYSA-N
XLogP3.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid (CID 80568097) is 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid is Cc1ccc2c(c1)CCCN2c1nc(C(=O)O)cs1.
What is the InChIKey of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is YOPOUKFGJIWOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9-4-5-12-10(7-9)3-2-6-16(12)14-15-11(8-19-14)13(17)18/h4-5,7-8H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 274.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).