3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one

C17H12N4OS — CID 10287537

IUPAC3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C17H12N4OS/c22-16-12(9-11-5-1-2-6-13(11)19-16)14-10-23-17(20-14)21-15-7-3-4-8-18-15/h1-10H,(H,19,22)(H,18,20,21)
InChIKeyBLUPDSUEZROPRI-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.79
Rot. Bonds3

About 3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one

3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 10287537) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID10287537
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C17H12N4OS/c22-16-12(9-11-5-1-2-6-13(11)19-16)14-10-23-17(20-14)21-15-7-3-4-8-18-15/h1-10H,(H,19,22)(H,18,20,21)
InChIKeyBLUPDSUEZROPRI-UHFFFAOYSA-N
XLogP3.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 10287537) is 3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(Nc2ccccn2)n1.
What is the InChIKey of 3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is BLUPDSUEZROPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c22-16-12(9-11-5-1-2-6-13(11)19-16)14-10-23-17(20-14)21-15-7-3-4-8-18-15/h1-10H,(H,19,22)(H,18,20,21).
What are the key properties of 3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 320.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 10287537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).