2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C15H18N4OS — CID 115281581

IUPAC2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCCc3c(N)cccc32)n1
InChIInChI=1S/C15H18N4OS/c1-10-9-21-15(17-10)18-14(20)8-19-7-3-4-11-12(16)5-2-6-13(11)19/h2,5-6,9H,3-4,7-8,16H2,1H3,(H,17,18,20)
InChIKeyQLEYFHKZEJAKEJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.43
Rot. Bonds3

About 2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 115281581) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID115281581
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCCc3c(N)cccc32)n1
InChIInChI=1S/C15H18N4OS/c1-10-9-21-15(17-10)18-14(20)8-19-7-3-4-11-12(16)5-2-6-13(11)19/h2,5-6,9H,3-4,7-8,16H2,1H3,(H,17,18,20)
InChIKeyQLEYFHKZEJAKEJ-UHFFFAOYSA-N
XLogP2.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 115281581) is 2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2CCCc3c(N)cccc32)n1.
What is the InChIKey of 2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QLEYFHKZEJAKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-9-21-15(17-10)18-14(20)8-19-7-3-4-11-12(16)5-2-6-13(11)19/h2,5-6,9H,3-4,7-8,16H2,1H3,(H,17,18,20).
What are the key properties of 2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 115281581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).