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

C9H13F3N2S — CID 106784072

IUPACN-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S/c1-2-4-13-5-3-7-6-14-8(15-7)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyGQCHHDFITWOGCP-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.70
Rot. Bonds5

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

N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 106784072) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID106784072
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC NameN-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S/c1-2-4-13-5-3-7-6-14-8(15-7)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyGQCHHDFITWOGCP-UHFFFAOYSA-N
XLogP2.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Diethylthiazole
CID 85073
[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
(5-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24274391
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
2-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 53719096
1-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274392
2-(2-Chloro-1,3-thiazol-5-yl)ethan-1-amine hydrochloride
CID 75481398
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
2-(1,3-Thiazol-5-yl)ethan-1-amine
CID 28948322
4-[[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]amino]butanenitrile
CID 97877901

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 106784072) is N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNCCc1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is GQCHHDFITWOGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-2-4-13-5-3-7-6-14-8(15-7)9(10,11)12/h6,13H,2-5H2,1H3.
What are the key properties of N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 238.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106784072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).