5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile

C12H10FN3OS — CID 114841040

IUPAC5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCOc1cc(Nc2snc(C)c2C#N)ccc1F
InChIInChI=1S/C12H10FN3OS/c1-7-9(6-14)12(18-16-7)15-8-3-4-10(13)11(5-8)17-2/h3-5,15H,1-2H3
InChIKeyKNZUUZCLXGLNLN-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.21
Rot. Bonds3

About 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile

5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile (PubChem CID 114841040) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
PubChem CID114841040
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC Name5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCOc1cc(Nc2snc(C)c2C#N)ccc1F
InChIInChI=1S/C12H10FN3OS/c1-7-9(6-14)12(18-16-7)15-8-3-4-10(13)11(5-8)17-2/h3-5,15H,1-2H3
InChIKeyKNZUUZCLXGLNLN-UHFFFAOYSA-N
XLogP3.21
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile (CID 114841040) is 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile is COc1cc(Nc2snc(C)c2C#N)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
The InChIKey is KNZUUZCLXGLNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c1-7-9(6-14)12(18-16-7)15-8-3-4-10(13)11(5-8)17-2/h3-5,15H,1-2H3.
What are the key properties of 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 114841040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).