5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine

C9H13F3N2S — CID 64567637

IUPAC5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCc1csc(CC(N)CCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N2S/c1-6-5-15-8(14-6)4-7(13)2-3-9(10,11)12/h5,7H,2-4,13H2,1H3
InChIKeyJHRAEZCNXVCSCZ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.66
Rot. Bonds4

About 5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine

5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 64567637) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
PubChem CID64567637
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCc1csc(CC(N)CCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N2S/c1-6-5-15-8(14-6)4-7(13)2-3-9(10,11)12/h5,7H,2-4,13H2,1H3
InChIKeyJHRAEZCNXVCSCZ-UHFFFAOYSA-N
XLogP2.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
[1-chloro-1,1-difluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105265468
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
1-(4-methyl-1,3-thiazol-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105171577
3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019405
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 105373847
(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 104941052
1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 112653689
1-(2-chloro-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 102618830
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019185

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine (CID 64567637) is 5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine is Cc1csc(CC(N)CCC(F)(F)F)n1.
What is the InChIKey of 5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is JHRAEZCNXVCSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-6-5-15-8(14-6)4-7(13)2-3-9(10,11)12/h5,7H,2-4,13H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 238.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 64567637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).