4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine

C14H14F4N2S — CID 104854722

IUPAC4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
SMILESCC(CC(F)(F)F)NCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H14F4N2S/c1-9(6-14(16,17)18)19-7-12-8-21-13(20-12)10-2-4-11(15)5-3-10/h2-5,8-9,19H,6-7H2,1H3
InChIKeyHOXOGSJOPCBHMN-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.38
Rot. Bonds5

About 4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine

4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine (PubChem CID 104854722) has the molecular formula C14H14F4N2S and a molecular weight of 318.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
PubChem CID104854722
Molecular FormulaC14H14F4N2S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC Name4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
SMILESCC(CC(F)(F)F)NCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H14F4N2S/c1-9(6-14(16,17)18)19-7-12-8-21-13(20-12)10-2-4-11(15)5-3-10/h2-5,8-9,19H,6-7H2,1H3
InChIKeyHOXOGSJOPCBHMN-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pent-4-yn-2-amine
CID 115660169
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpentan-2-amine
CID 61463562
(2S)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79254600
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711100
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol
CID 103685135
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-4-methylpentanoate
CID 119165331
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60683168
2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylamino]propanoic acid
CID 120913274
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylcyclohexan-1-amine
CID 43407865
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine
CID 83010558

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine (CID 104854722) is 4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine is CC(CC(F)(F)F)NCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine?
The InChIKey is HOXOGSJOPCBHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2S/c1-9(6-14(16,17)18)19-7-12-8-21-13(20-12)10-2-4-11(15)5-3-10/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine?
4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine has a molecular weight of 318.34 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine is sourced from PubChem (CID 104854722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).