1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one

C15H13N3OS — CID 116575844

IUPAC1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one
SMILESNc1nc(CC(=O)Cc2ccc3ccccc3n2)cs1
InChIInChI=1S/C15H13N3OS/c16-15-18-12(9-20-15)8-13(19)7-11-6-5-10-3-1-2-4-14(10)17-11/h1-6,9H,7-8H2,(H2,16,18)
InChIKeyTVNAHZBAJGDNCP-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.63
Rot. Bonds4

About 1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one

1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one (PubChem CID 116575844) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one
PubChem CID116575844
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one
SMILESNc1nc(CC(=O)Cc2ccc3ccccc3n2)cs1
InChIInChI=1S/C15H13N3OS/c16-15-18-12(9-20-15)8-13(19)7-11-6-5-10-3-1-2-4-14(10)17-11/h1-6,9H,7-8H2,(H2,16,18)
InChIKeyTVNAHZBAJGDNCP-UHFFFAOYSA-N
XLogP2.63
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one
CID 116575731
1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 116575680
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
CID 116571510
1-quinolin-2-ylpentan-2-one
CID 28935199
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
8-amino-1-quinolin-2-yloctan-2-one
CID 116551634
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one
CID 116575717
1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one
CID 116575765
1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one
CID 116591404
1,2-di(quinolin-2-yl)ethanone
CID 24973307

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one?
The IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one (CID 116575844) is 1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one?
The canonical SMILES for 1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one is Nc1nc(CC(=O)Cc2ccc3ccccc3n2)cs1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one?
The InChIKey is TVNAHZBAJGDNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-15-18-12(9-20-15)8-13(19)7-11-6-5-10-3-1-2-4-14(10)17-11/h1-6,9H,7-8H2,(H2,16,18).
What are the key properties of 1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one?
1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one has a molecular weight of 283.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one is sourced from PubChem (CID 116575844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).