4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine

C12H10F2N2OS — CID 77040047

IUPAC4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
SMILESCOc1cc(F)c(C=Cc2csc(N)n2)c(F)c1
InChIInChI=1S/C12H10F2N2OS/c1-17-8-4-10(13)9(11(14)5-8)3-2-7-6-18-12(15)16-7/h2-6H,1H3,(H2,15,16)
InChIKeyGROZSXVKKKBAMW-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.18
Rot. Bonds3

About 4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine

4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 77040047) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
PubChem CID77040047
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
SMILESCOc1cc(F)c(C=Cc2csc(N)n2)c(F)c1
InChIInChI=1S/C12H10F2N2OS/c1-17-8-4-10(13)9(11(14)5-8)3-2-7-6-18-12(15)16-7/h2-6H,1H3,(H2,15,16)
InChIKeyGROZSXVKKKBAMW-UHFFFAOYSA-N
XLogP3.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine (CID 77040047) is 4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine is COc1cc(F)c(C=Cc2csc(N)n2)c(F)c1.
What is the InChIKey of 4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is GROZSXVKKKBAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-17-8-4-10(13)9(11(14)5-8)3-2-7-6-18-12(15)16-7/h2-6H,1H3,(H2,15,16).
What are the key properties of 4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 268.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 77040047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).