1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine

C11H11F3N4S — CID 156830632

IUPAC1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCC(NCc1ncc(C(F)(F)F)s1)c1ncccn1
InChIInChI=1S/C11H11F3N4S/c1-7(10-15-3-2-4-16-10)17-6-9-18-5-8(19-9)11(12,13)14/h2-5,7,17H,6H2,1H3
InChIKeyVZAZJJPJEGYRGA-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.80
Rot. Bonds4

About 1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine

1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 156830632) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID156830632
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCC(NCc1ncc(C(F)(F)F)s1)c1ncccn1
InChIInChI=1S/C11H11F3N4S/c1-7(10-15-3-2-4-16-10)17-6-9-18-5-8(19-9)11(12,13)14/h2-5,7,17H,6H2,1H3
InChIKeyVZAZJJPJEGYRGA-UHFFFAOYSA-N
XLogP2.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-methylthiazol-2-yl)pyrazine-2,6-diamine
CID 25171662
N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 71933043
2-(1,3-Thiazol-5-yl)pyrimidin-4-amine
CID 80477993
Thiazolyl pyrimidine
CID 21955988
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72936462
4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 75421998
5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 164637491
2-(4-Fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole
CID 58142803
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
CID 69190563
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
CID 69190565
2-[[4-[2-(Trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 69327559
4-Pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 87395255

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 156830632) is 1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine is CC(NCc1ncc(C(F)(F)F)s1)c1ncccn1.
What is the InChIKey of 1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is VZAZJJPJEGYRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-7(10-15-3-2-4-16-10)17-6-9-18-5-8(19-9)11(12,13)14/h2-5,7,17H,6H2,1H3.
What are the key properties of 1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 288.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 156830632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).