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

C13H12ClFN2S — CID 113238370

IUPAC2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H12ClFN2S/c1-9(14)6-16-7-12-8-18-13(17-12)10-2-4-11(15)5-3-10/h2-5,8,16H,1,6-7H2
InChIKeyDOIIQLAALXFCHF-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.79
Rot. Bonds5

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

2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine (PubChem CID 113238370) has the molecular formula C13H12ClFN2S and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
PubChem CID113238370
Molecular FormulaC13H12ClFN2S
Molecular Weight282.77 g/mol
Exact Mass282.04
IUPAC Name2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H12ClFN2S/c1-9(14)6-16-7-12-8-18-13(17-12)10-2-4-11(15)5-3-10/h2-5,8,16H,1,6-7H2
InChIKeyDOIIQLAALXFCHF-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 115614858
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 119108451
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol
CID 111440463
(2S)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79254600
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine
CID 66350578
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine (CID 113238370) is 2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine is C=C(Cl)CNCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine?
The InChIKey is DOIIQLAALXFCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2S/c1-9(14)6-16-7-12-8-18-13(17-12)10-2-4-11(15)5-3-10/h2-5,8,16H,1,6-7H2.
What are the key properties of 2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine?
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine has a molecular weight of 282.77 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 113238370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).