N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine

C10H15F3N2S — CID 79964670

IUPACN-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(CCC(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-3-14-7(2)8-6-15-9(16-8)4-5-10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyPTWCGHXMZSQQJI-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.31
Rot. Bonds5

About N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine

N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 79964670) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID79964670
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC NameN-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(CCC(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-3-14-7(2)8-6-15-9(16-8)4-5-10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyPTWCGHXMZSQQJI-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine (CID 79964670) is N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1cnc(CCC(F)(F)F)s1.
What is the InChIKey of N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is PTWCGHXMZSQQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-3-14-7(2)8-6-15-9(16-8)4-5-10(11,12)13/h6-7,14H,3-5H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 252.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79964670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).