3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid

C16H18N2O2S — CID 82161957

IUPAC3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid
SMILESCc1nc(N2CCCc3ccccc32)sc1CCC(=O)O
InChIInChI=1S/C16H18N2O2S/c1-11-14(8-9-15(19)20)21-16(17-11)18-10-4-6-12-5-2-3-7-13(12)18/h2-3,5,7H,4,6,8-10H2,1H3,(H,19,20)
InChIKeyXBIYSBIFLOKITC-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.55
Rot. Bonds4

About 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82161957) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid
PubChem CID82161957
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid
SMILESCc1nc(N2CCCc3ccccc32)sc1CCC(=O)O
InChIInChI=1S/C16H18N2O2S/c1-11-14(8-9-15(19)20)21-16(17-11)18-10-4-6-12-5-2-3-7-13(12)18/h2-3,5,7H,4,6,8-10H2,1H3,(H,19,20)
InChIKeyXBIYSBIFLOKITC-UHFFFAOYSA-N
XLogP3.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid with MolForge

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Related Compounds

3-[4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]propanoic acid
CID 82161972
[2-(3,4-dihydro-2H-quinolin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766572
3-[5-(2,3-dihydroindol-1-yl)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 98019188
ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate
CID 80567840
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62763943
ethyl 2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3-thiazole-4-carboxylate
CID 80569322
2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121041
2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508921
4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80688286
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160879
3-(2-benzhydryl-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82161879
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid (CID 82161957) is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid is Cc1nc(N2CCCc3ccccc32)sc1CCC(=O)O.
What is the InChIKey of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is XBIYSBIFLOKITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-14(8-9-15(19)20)21-16(17-11)18-10-4-6-12-5-2-3-7-13(12)18/h2-3,5,7H,4,6,8-10H2,1H3,(H,19,20).
What are the key properties of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid?
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 302.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82161957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).