N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C13H15F3N2S2 — CID 173218888

IUPACN-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCN(Cc1cccs1)Cc1scnc1C(F)(F)F
InChIInChI=1S/C13H15F3N2S2/c1-2-5-18(7-10-4-3-6-19-10)8-11-12(13(14,15)16)17-9-20-11/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyZJHFVTKMNIOVDE-UHFFFAOYSA-N
MW320.41 g/mol
LogP4.64
Rot. Bonds6

About N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 173218888) has the molecular formula C13H15F3N2S2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID173218888
Molecular FormulaC13H15F3N2S2
Molecular Weight320.41 g/mol
Exact Mass320.06
IUPAC NameN-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCN(Cc1cccs1)Cc1scnc1C(F)(F)F
InChIInChI=1S/C13H15F3N2S2/c1-2-5-18(7-10-4-3-6-19-10)8-11-12(13(14,15)16)17-9-20-11/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyZJHFVTKMNIOVDE-UHFFFAOYSA-N
XLogP4.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 173218888) is N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCN(Cc1cccs1)Cc1scnc1C(F)(F)F.
What is the InChIKey of N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is ZJHFVTKMNIOVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S2/c1-2-5-18(7-10-4-3-6-19-10)8-11-12(13(14,15)16)17-9-20-11/h3-4,6,9H,2,5,7-8H2,1H3.
What are the key properties of N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 320.41 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 173218888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).