(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

C7H9F3N2S — CID 104941052

IUPAC(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCc1csc([C@@H](N)CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2S/c1-4-3-13-6(12-4)5(11)2-7(8,9)10/h3,5H,2,11H2,1H3/t5-/m0/s1
InChIKeySKUVJUSYFYRQCG-YFKPBYRVSA-N
MW210.22 g/mol
LogP2.40
Rot. Bonds2

About (1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104941052) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID104941052
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCc1csc([C@@H](N)CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2S/c1-4-3-13-6(12-4)5(11)2-7(8,9)10/h3,5H,2,11H2,1H3/t5-/m0/s1
InChIKeySKUVJUSYFYRQCG-YFKPBYRVSA-N
XLogP2.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112693223
1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
CID 61331846
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
(1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 9267875
2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 61333036
methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate
CID 104770778
5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 64567637
1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine
CID 62952140
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 104770695
[4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 113328486
4-amino-4-methyl-3-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol
CID 104772051

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 104941052) is (1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is Cc1csc([C@@H](N)CC(F)(F)F)n1.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is SKUVJUSYFYRQCG-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-4-3-13-6(12-4)5(11)2-7(8,9)10/h3,5H,2,11H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 210.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104941052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).