N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C11H17F3N2S — CID 61392585

IUPACN-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(CC(F)(F)F)nc1C
InChIInChI=1S/C11H17F3N2S/c1-4-5-15-7(2)10-8(3)16-9(17-10)6-11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeyBRGNRFJLTTWGEY-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.62
Rot. Bonds5

About N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 61392585) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID61392585
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC NameN-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(CC(F)(F)F)nc1C
InChIInChI=1S/C11H17F3N2S/c1-4-5-15-7(2)10-8(3)16-9(17-10)6-11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeyBRGNRFJLTTWGEY-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 61392585) is N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1sc(CC(F)(F)F)nc1C.
What is the InChIKey of N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is BRGNRFJLTTWGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-4-5-15-7(2)10-8(3)16-9(17-10)6-11(12,13)14/h7,15H,4-6H2,1-3H3.
What are the key properties of N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 266.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 61392585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).