(E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine

C14H15FN2S — CID 103091812

IUPAC(E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine
SMILESC/C(=C\c1csc(-c2ccc(F)cc2)n1)C(C)N
InChIInChI=1S/C14H15FN2S/c1-9(10(2)16)7-13-8-18-14(17-13)11-3-5-12(15)6-4-11/h3-8,10H,16H2,1-2H3/b9-7+
InChIKeyDCIRBBJCAMZSBK-VQHVLOKHSA-N
MW262.35 g/mol
LogP3.70
Rot. Bonds3

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

(E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine (PubChem CID 103091812) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is (E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine
PubChem CID103091812
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name(E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine
SMILESC/C(=C\c1csc(-c2ccc(F)cc2)n1)C(C)N
InChIInChI=1S/C14H15FN2S/c1-9(10(2)16)7-13-8-18-14(17-13)11-3-5-12(15)6-4-11/h3-8,10H,16H2,1-2H3/b9-7+
InChIKeyDCIRBBJCAMZSBK-VQHVLOKHSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine
CID 79340774
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylprop-2-en-1-amine
CID 79347924
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-N-propylbutan-1-amine
CID 79328718
2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
CID 20664385
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
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione
CID 17467522
(E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide
CID 27007322
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 17441393
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824550

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine?
The IUPAC name of (E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine (CID 103091812) is (E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine?
The canonical SMILES for (E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine is C/C(=C\c1csc(-c2ccc(F)cc2)n1)C(C)N.
What is the InChIKey of (E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine?
The InChIKey is DCIRBBJCAMZSBK-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-9(10(2)16)7-13-8-18-14(17-13)11-3-5-12(15)6-4-11/h3-8,10H,16H2,1-2H3/b9-7+.
What are the key properties of (E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine?
(E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine has a molecular weight of 262.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103091812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).