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

C9H12F3N3OS — CID 60958351

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ncc(CNCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C9H12F3N3OS/c1-6-14-3-7(17-6)2-13-4-8(16)15-5-9(10,11)12/h3,13H,2,4-5H2,1H3,(H,15,16)
InChIKeyLKXZZTIMUXOEOT-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.22
Rot. Bonds5

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

2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60958351) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60958351
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ncc(CNCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C9H12F3N3OS/c1-6-14-3-7(17-6)2-13-4-8(16)15-5-9(10,11)12/h3,13H,2,4-5H2,1H3,(H,15,16)
InChIKeyLKXZZTIMUXOEOT-UHFFFAOYSA-N
XLogP1.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60958351) is 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1ncc(CNCC(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LKXZZTIMUXOEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-6-14-3-7(17-6)2-13-4-8(16)15-5-9(10,11)12/h3,13H,2,4-5H2,1H3,(H,15,16).
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 267.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60958351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).