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

C11H13F3N4S — CID 71986332

IUPACN-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(NCc1ncc[nH]1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H13F3N4S/c1-2-7(17-5-9-15-3-4-16-9)10-18-8(6-19-10)11(12,13)14/h3-4,6-7,17H,2,5H2,1H3,(H,15,16)
InChIKeyOIVIGYBDVPCRJS-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.13
Rot. Bonds5

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

N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 71986332) has the molecular formula C11H13F3N4S and a molecular weight of 290.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID71986332
Molecular FormulaC11H13F3N4S
Molecular Weight290.31 g/mol
Exact Mass290.08
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(NCc1ncc[nH]1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H13F3N4S/c1-2-7(17-5-9-15-3-4-16-9)10-18-8(6-19-10)11(12,13)14/h3-4,6-7,17H,2,5H2,1H3,(H,15,16)
InChIKeyOIVIGYBDVPCRJS-UHFFFAOYSA-N
XLogP3.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71868809
4-(1H-Imidazol-2-YL)-thiazole
CID 17942300
(2S)-4-(2-methylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 95206783
1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 118785908
(1H-imidazol-2-ylmethyl)methyl(1,3-thiazol-4-ylmethyl)amine
CID 124204693
(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
CID 125440368
(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 125441890
(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 164633880
2-(4-trifluoromethyl-1H-imidazol-2-yl)-thiazole
CID 10798896
1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-[3-(1,3-thiazol-2-yl)propyl]guanidine
CID 13499363
N-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]-N'-[2-(2-thiazolylmethylthio)ethyl]guanidine
CID 13499375
N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59728200

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (CID 71986332) is N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is CCC(NCc1ncc[nH]1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is OIVIGYBDVPCRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4S/c1-2-7(17-5-9-15-3-4-16-9)10-18-8(6-19-10)11(12,13)14/h3-4,6-7,17H,2,5H2,1H3,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 290.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 71986332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).