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

C9H13F3N2S — CID 167249314

IUPACN-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2S/c1-3-4-13-6(2)8-14-7(5-15-8)9(10,11)12/h5-6,13H,3-4H2,1-2H3
InChIKeyZIADADKZIMGSEI-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.22
Rot. Bonds4

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

N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine (PubChem CID 167249314) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
PubChem CID167249314
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC NameN-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2S/c1-3-4-13-6(2)8-14-7(5-15-8)9(10,11)12/h5-6,13H,3-4H2,1-2H3
InChIKeyZIADADKZIMGSEI-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 92669559
N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide
CID 129471742
2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid
CID 166307451
1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 63405438
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butan-2-amine
CID 115725167
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]ethanesulfonamide
CID 71985542
N-[(4-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61330841
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 62385430
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 61347758
5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine
CID 124728866
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine
CID 133483685

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine (CID 167249314) is N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is ZIADADKZIMGSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-3-4-13-6(2)8-14-7(5-15-8)9(10,11)12/h5-6,13H,3-4H2,1-2H3.
What are the key properties of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine?
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 238.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 167249314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).