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

C11H17F3N2S — CID 79964751

IUPACN-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(CCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-3-6-15-8(2)9-7-16-10(17-9)4-5-11(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyOQRGSAWLRCLMJU-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.70
Rot. Bonds6

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

N-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 79964751) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID79964751
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC NameN-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(CCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-3-6-15-8(2)9-7-16-10(17-9)4-5-11(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyOQRGSAWLRCLMJU-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 79964751) is N-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(CCC(F)(F)F)s1.
What is the InChIKey of N-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is OQRGSAWLRCLMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-3-6-15-8(2)9-7-16-10(17-9)4-5-11(12,13)14/h7-8,15H,3-6H2,1-2H3.
What are the key properties of N-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 266.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79964751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).