1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone

C15H13N3OS — CID 82540919

IUPAC1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone
SMILESCNc1nc(-c2cccc3cccnc23)c(C(C)=O)s1
InChIInChI=1S/C15H13N3OS/c1-9(19)14-13(18-15(16-2)20-14)11-7-3-5-10-6-4-8-17-12(10)11/h3-8H,1-2H3,(H,16,18)
InChIKeyZLMDLXSUIPVOJK-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.60
Rot. Bonds3

About 1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone

1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone (PubChem CID 82540919) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone
PubChem CID82540919
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone
SMILESCNc1nc(-c2cccc3cccnc23)c(C(C)=O)s1
InChIInChI=1S/C15H13N3OS/c1-9(19)14-13(18-15(16-2)20-14)11-7-3-5-10-6-4-8-17-12(10)11/h3-8H,1-2H3,(H,16,18)
InChIKeyZLMDLXSUIPVOJK-UHFFFAOYSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
3-(2-methyl-4-quinolin-8-yl-1,3-thiazol-5-yl)butanoic acid
CID 110447443
3,5-dichloro-N-methyl-6-quinolin-8-ylpyridin-2-amine
CID 102753713
1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone
CID 110447743
1-(4-fluoro-3-quinolin-8-ylphenyl)ethanone
CID 82540926
methyl 3-quinolin-8-ylbenzoate
CID 4189037
2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine
CID 63968062
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
acetic acid;bis(palladium);bis(quinolin-8-ol)
CID 171726767
copper;quinolin-8-ol;diacetate
CID 161290532
3-(3-quinolin-8-ylphenyl)butanoic acid
CID 82543049
5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 107380209

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone (CID 82540919) is 1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone is CNc1nc(-c2cccc3cccnc23)c(C(C)=O)s1.
What is the InChIKey of 1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone?
The InChIKey is ZLMDLXSUIPVOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9(19)14-13(18-15(16-2)20-14)11-7-3-5-10-6-4-8-17-12(10)11/h3-8H,1-2H3,(H,16,18).
What are the key properties of 1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone?
1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone has a molecular weight of 283.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82540919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).