2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C11H17F3N2S — CID 79964082

IUPAC2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(CCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-8(2)5-15-6-9-7-16-10(17-9)3-4-11(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyBPKLNOJUQDGRJS-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.38
Rot. Bonds6

About 2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 79964082) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID79964082
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC Name2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(CCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-8(2)5-15-6-9-7-16-10(17-9)3-4-11(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyBPKLNOJUQDGRJS-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 79964082) is 2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1cnc(CCC(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is BPKLNOJUQDGRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-8(2)5-15-6-9-7-16-10(17-9)3-4-11(12,13)14/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 266.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 79964082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).