N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide

C11H16F3N3OS — CID 55176104

IUPACN-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNCCC(F)(F)F)cs1
InChIInChI=1S/C11H16F3N3OS/c1-3-17(8(2)18)10-16-9(7-19-10)6-15-5-4-11(12,13)14/h7,15H,3-6H2,1-2H3
InChIKeyCAIQPOHPMAGHEB-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.56
Rot. Bonds6

About N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 55176104) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID55176104
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC NameN-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNCCC(F)(F)F)cs1
InChIInChI=1S/C11H16F3N3OS/c1-3-17(8(2)18)10-16-9(7-19-10)6-15-5-4-11(12,13)14/h7,15H,3-6H2,1-2H3
InChIKeyCAIQPOHPMAGHEB-UHFFFAOYSA-N
XLogP2.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide (CID 55176104) is N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CNCCC(F)(F)F)cs1.
What is the InChIKey of N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CAIQPOHPMAGHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-3-17(8(2)18)10-16-9(7-19-10)6-15-5-4-11(12,13)14/h7,15H,3-6H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 295.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55176104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).