4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one

C13H11N3OS — CID 118736863

IUPAC4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCn1c(=O)cc(N)c2cc(-c3cncs3)ccc21
InChIInChI=1S/C13H11N3OS/c1-16-11-3-2-8(12-6-15-7-18-12)4-9(11)10(14)5-13(16)17/h2-7H,14H2,1H3
InChIKeyZSSLQHTYYXEMJM-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.24
Rot. Bonds1

About 4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one

4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one (PubChem CID 118736863) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
PubChem CID118736863
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCn1c(=O)cc(N)c2cc(-c3cncs3)ccc21
InChIInChI=1S/C13H11N3OS/c1-16-11-3-2-8(12-6-15-7-18-12)4-9(11)10(14)5-13(16)17/h2-7H,14H2,1H3
InChIKeyZSSLQHTYYXEMJM-UHFFFAOYSA-N
XLogP2.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
The IUPAC name of 4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one (CID 118736863) is 4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one.
What is the SMILES notation for 4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
The canonical SMILES for 4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one is Cn1c(=O)cc(N)c2cc(-c3cncs3)ccc21.
What is the InChIKey of 4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
The InChIKey is ZSSLQHTYYXEMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-16-11-3-2-8(12-6-15-7-18-12)4-9(11)10(14)5-13(16)17/h2-7H,14H2,1H3.
What are the key properties of 4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one has a molecular weight of 257.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one is sourced from PubChem (CID 118736863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).