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

C10H14F3N3OS — CID 43230304

IUPACN-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNCC(F)(F)F)cs1
InChIInChI=1S/C10H14F3N3OS/c1-3-16(7(2)17)9-15-8(5-18-9)4-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyNXGOZBBJBUUXCM-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.17
Rot. Bonds5

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

N-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 43230304) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is N-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID43230304
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC NameN-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNCC(F)(F)F)cs1
InChIInChI=1S/C10H14F3N3OS/c1-3-16(7(2)17)9-15-8(5-18-9)4-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyNXGOZBBJBUUXCM-UHFFFAOYSA-N
XLogP2.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide (CID 43230304) is N-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CNCC(F)(F)F)cs1.
What is the InChIKey of N-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NXGOZBBJBUUXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-3-16(7(2)17)9-15-8(5-18-9)4-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 281.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43230304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).