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

C13H12N2OS — CID 2801266

IUPAC6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1
InChIInChI=1S/C13H12N2OS/c1-8-14-12(7-17-8)10-2-4-11-9(6-10)3-5-13(16)15-11/h2,4,6-7H,3,5H2,1H3,(H,15,16)
InChIKeySWBRAZBBBQLMAI-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.00
Rot. Bonds1

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

6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2801266) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID2801266
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1
InChIInChI=1S/C13H12N2OS/c1-8-14-12(7-17-8)10-2-4-11-9(6-10)3-5-13(16)15-11/h2,4,6-7H,3,5H2,1H3,(H,15,16)
InChIKeySWBRAZBBBQLMAI-UHFFFAOYSA-N
XLogP3.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one (CID 2801266) is 6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one is Cc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1.
What is the InChIKey of 6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SWBRAZBBBQLMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-8-14-12(7-17-8)10-2-4-11-9(6-10)3-5-13(16)15-11/h2,4,6-7H,3,5H2,1H3,(H,15,16).
What are the key properties of 6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 244.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2801266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).