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

C16H11N3OS2 — CID 22638613

IUPAC3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESCc1nc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)cs1
InChIInChI=1S/C16H11N3OS2/c1-9-17-14(8-21-9)16-19-13(7-22-16)11-6-10-4-2-3-5-12(10)18-15(11)20/h2-8H,1H3,(H,18,20)
InChIKeyDROLLUYCUSYZND-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.08
Rot. Bonds2

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

3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 22638613) has the molecular formula C16H11N3OS2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID22638613
Molecular FormulaC16H11N3OS2
Molecular Weight325.42 g/mol
Exact Mass325.03
IUPAC Name3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESCc1nc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)cs1
InChIInChI=1S/C16H11N3OS2/c1-9-17-14(8-21-9)16-19-13(7-22-16)11-6-10-4-2-3-5-12(10)18-15(11)20/h2-8H,1H3,(H,18,20)
InChIKeyDROLLUYCUSYZND-UHFFFAOYSA-N
XLogP4.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 22638613) is 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is Cc1nc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)cs1.
What is the InChIKey of 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is DROLLUYCUSYZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS2/c1-9-17-14(8-21-9)16-19-13(7-22-16)11-6-10-4-2-3-5-12(10)18-15(11)20/h2-8H,1H3,(H,18,20).
What are the key properties of 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 325.42 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 22638613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).