3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine

C14H15FN2S — CID 79340774

IUPAC3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN2S/c1-10(8-16-2)7-13-9-18-14(17-13)11-3-5-12(15)6-4-11/h3-7,9,16H,8H2,1-2H3
InChIKeyQOLFESVJVLDGKN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.57
Rot. Bonds4

About 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine

3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine (PubChem CID 79340774) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine
PubChem CID79340774
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN2S/c1-10(8-16-2)7-13-9-18-14(17-13)11-3-5-12(15)6-4-11/h3-7,9,16H,8H2,1-2H3
InChIKeyQOLFESVJVLDGKN-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-N-propylbutan-1-amine
CID 79328718
(E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine
CID 103091812
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylprop-2-en-1-amine
CID 79347924
(E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide
CID 27007322
ethyl (Z)-2-cyano-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoate
CID 51111224
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
(E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide
CID 24524728
(E)-2-cyano-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide
CID 27718484
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine (CID 79340774) is 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine is CNCC(C)=Cc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine?
The InChIKey is QOLFESVJVLDGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-10(8-16-2)7-13-9-18-14(17-13)11-3-5-12(15)6-4-11/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine?
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 79340774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).