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

C12H11FN2OS — CID 77039909

IUPAC4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C=Cc2csc(N)n2)cc1F
InChIInChI=1S/C12H11FN2OS/c1-16-11-5-3-8(6-10(11)13)2-4-9-7-17-12(14)15-9/h2-7H,1H3,(H2,14,15)
InChIKeyQBEQENWABCIFRV-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.04
Rot. Bonds3

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

4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 77039909) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
PubChem CID77039909
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C=Cc2csc(N)n2)cc1F
InChIInChI=1S/C12H11FN2OS/c1-16-11-5-3-8(6-10(11)13)2-4-9-7-17-12(14)15-9/h2-7H,1H3,(H2,14,15)
InChIKeyQBEQENWABCIFRV-UHFFFAOYSA-N
XLogP3.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine (CID 77039909) is 4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine is COc1ccc(C=Cc2csc(N)n2)cc1F.
What is the InChIKey of 4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is QBEQENWABCIFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-16-11-5-3-8(6-10(11)13)2-4-9-7-17-12(14)15-9/h2-7H,1H3,(H2,14,15).
What are the key properties of 4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 250.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 77039909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).