3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide

C13H14F3N3OS2 — CID 71985927

IUPAC3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
SMILESCCC(NC(=O)CCc1cscn1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H14F3N3OS2/c1-2-9(12-19-10(6-22-12)13(14,15)16)18-11(20)4-3-8-5-21-7-17-8/h5-7,9H,2-4H2,1H3,(H,18,20)
InChIKeyNIJAODRWMGXVAW-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.82
Rot. Bonds6

About 3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide

3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide (PubChem CID 71985927) has the molecular formula C13H14F3N3OS2 and a molecular weight of 349.40 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide.

Molecular Properties

Compound Name3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
PubChem CID71985927
Molecular FormulaC13H14F3N3OS2
Molecular Weight349.40 g/mol
Exact Mass349.05
IUPAC Name3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
SMILESCCC(NC(=O)CCc1cscn1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H14F3N3OS2/c1-2-9(12-19-10(6-22-12)13(14,15)16)18-11(20)4-3-8-5-21-7-17-8/h5-7,9H,2-4H2,1H3,(H,18,20)
InChIKeyNIJAODRWMGXVAW-UHFFFAOYSA-N
XLogP3.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The IUPAC name of 3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide (CID 71985927) is 3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide.
What is the SMILES notation for 3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The canonical SMILES for 3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide is CCC(NC(=O)CCc1cscn1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The InChIKey is NIJAODRWMGXVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS2/c1-2-9(12-19-10(6-22-12)13(14,15)16)18-11(20)4-3-8-5-21-7-17-8/h5-7,9H,2-4H2,1H3,(H,18,20).
What are the key properties of 3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide has a molecular weight of 349.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide is sourced from PubChem (CID 71985927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).