6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one

C12H11N3OS — CID 725400

IUPAC6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1
InChIInChI=1S/C12H11N3OS/c13-12-15-10(6-17-12)8-1-3-9-7(5-8)2-4-11(16)14-9/h1,3,5-6H,2,4H2,(H2,13,15)(H,14,16)
InChIKeyFXDMXJQMOVVRFM-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.28
Rot. Bonds1

About 6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one

6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 725400) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID725400
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1
InChIInChI=1S/C12H11N3OS/c13-12-15-10(6-17-12)8-1-3-9-7(5-8)2-4-11(16)14-9/h1,3,5-6H,2,4H2,(H2,13,15)(H,14,16)
InChIKeyFXDMXJQMOVVRFM-UHFFFAOYSA-N
XLogP2.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one (CID 725400) is 6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one is Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1.
What is the InChIKey of 6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FXDMXJQMOVVRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-12-15-10(6-17-12)8-1-3-9-7(5-8)2-4-11(16)14-9/h1,3,5-6H,2,4H2,(H2,13,15)(H,14,16).
What are the key properties of 6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 245.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 725400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).