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

C7H9F3N2S — CID 112693223

IUPAC3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCc1nc(C(N)CC(F)(F)F)cs1
InChIInChI=1S/C7H9F3N2S/c1-4-12-6(3-13-4)5(11)2-7(8,9)10/h3,5H,2,11H2,1H3
InChIKeySUGFLQDXTJVZGP-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.40
Rot. Bonds2

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

3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine (PubChem CID 112693223) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
PubChem CID112693223
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCc1nc(C(N)CC(F)(F)F)cs1
InChIInChI=1S/C7H9F3N2S/c1-4-12-6(3-13-4)5(11)2-7(8,9)10/h3,5H,2,11H2,1H3
InChIKeySUGFLQDXTJVZGP-UHFFFAOYSA-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-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 104941052
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
[4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine
CID 105313908
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 104862981
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine
CID 105182629
1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine
CID 105179634
(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079
(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941101
2-(2,5-difluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105105222
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113294

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine (CID 112693223) is 3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine is Cc1nc(C(N)CC(F)(F)F)cs1.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is SUGFLQDXTJVZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-4-12-6(3-13-4)5(11)2-7(8,9)10/h3,5H,2,11H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-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 3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 112693223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).