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

C11H16F3N3O2S — CID 120991468

IUPAC2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
SMILESCCC(NC(=O)C(N)COC)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H16F3N3O2S/c1-3-7(16-9(18)6(15)4-19-2)10-17-8(5-20-10)11(12,13)14/h5-7H,3-4,15H2,1-2H3,(H,16,18)
InChIKeyFFIVLIBBRMIOFU-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.70
Rot. Bonds6

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

2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide (PubChem CID 120991468) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
PubChem CID120991468
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
SMILESCCC(NC(=O)C(N)COC)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H16F3N3O2S/c1-3-7(16-9(18)6(15)4-19-2)10-17-8(5-20-10)11(12,13)14/h5-7H,3-4,15H2,1-2H3,(H,16,18)
InChIKeyFFIVLIBBRMIOFU-UHFFFAOYSA-N
XLogP1.70
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide (CID 120991468) is 2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide is CCC(NC(=O)C(N)COC)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The InChIKey is FFIVLIBBRMIOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-3-7(16-9(18)6(15)4-19-2)10-17-8(5-20-10)11(12,13)14/h5-7H,3-4,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide has a molecular weight of 311.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide is sourced from PubChem (CID 120991468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).