2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole

C13H10FN3OS2 — CID 133475513

IUPAC2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole
SMILESCOc1cc2c(Sc3nc(C)cs3)ncnc2cc1F
InChIInChI=1S/C13H10FN3OS2/c1-7-5-19-13(17-7)20-12-8-3-11(18-2)9(14)4-10(8)15-6-16-12/h3-6H,1-2H3
InChIKeyGUEIHLVABYQOSH-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.69
Rot. Bonds3

About 2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole

2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole (PubChem CID 133475513) has the molecular formula C13H10FN3OS2 and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole
PubChem CID133475513
Molecular FormulaC13H10FN3OS2
Molecular Weight307.38 g/mol
Exact Mass307.02
IUPAC Name2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole
SMILESCOc1cc2c(Sc3nc(C)cs3)ncnc2cc1F
InChIInChI=1S/C13H10FN3OS2/c1-7-5-19-13(17-7)20-12-8-3-11(18-2)9(14)4-10(8)15-6-16-12/h3-6H,1-2H3
InChIKeyGUEIHLVABYQOSH-UHFFFAOYSA-N
XLogP3.69
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole (CID 133475513) is 2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole is COc1cc2c(Sc3nc(C)cs3)ncnc2cc1F.
What is the InChIKey of 2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole?
The InChIKey is GUEIHLVABYQOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS2/c1-7-5-19-13(17-7)20-12-8-3-11(18-2)9(14)4-10(8)15-6-16-12/h3-6H,1-2H3.
What are the key properties of 2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole?
2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole has a molecular weight of 307.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 133475513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).