N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H14F3N3OS — CID 78958410

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1ncc(CN(C)C(=O)CNCC(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c1-7-15-3-8(18-7)5-16(2)9(17)4-14-6-10(11,12)13/h3,14H,4-6H2,1-2H3
InChIKeyOJSGJIVUUQEZMC-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.56
Rot. Bonds5

About N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958410) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958410
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1ncc(CN(C)C(=O)CNCC(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c1-7-15-3-8(18-7)5-16(2)9(17)4-14-6-10(11,12)13/h3,14H,4-6H2,1-2H3
InChIKeyOJSGJIVUUQEZMC-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958410) is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cc1ncc(CN(C)C(=O)CNCC(F)(F)F)s1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is OJSGJIVUUQEZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-7-15-3-8(18-7)5-16(2)9(17)4-14-6-10(11,12)13/h3,14H,4-6H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 281.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).