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

C12H11FN2OS — CID 77039954

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

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

4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 77039954) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
PubChem CID77039954
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C=Cc2csc(N)n2)c(F)c1
InChIInChI=1S/C12H11FN2OS/c1-16-10-5-3-8(11(13)6-10)2-4-9-7-17-12(14)15-9/h2-7H,1H3,(H2,14,15)
InChIKeyNPFRFQUPCFCJKB-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
CID 77040047
4-[2-(6-methoxynaphthalen-2-yl)ethenyl]-1,3-thiazol-2-amine
CID 77040091
tert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
CID 164769613
4-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
CID 77039909
4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine
CID 77040002
4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine
CID 169049329
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine
CID 80649270
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine
CID 77040467
4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine
CID 77040042
2-fluoro-4-methoxyaniline
CID 3756383

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine (CID 77039954) is 4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine is COc1ccc(C=Cc2csc(N)n2)c(F)c1.
What is the InChIKey of 4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is NPFRFQUPCFCJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-16-10-5-3-8(11(13)6-10)2-4-9-7-17-12(14)15-9/h2-7H,1H3,(H2,14,15).
What are the key properties of 4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine?
4-[2-(2-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-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 77039954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).