2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

C9H12F3N3OS — CID 62797699

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cc1csc(N)n1
InChIInChI=1S/C9H12F3N3OS/c1-2-15(5-9(10,11)12)7(16)3-6-4-17-8(13)14-6/h4H,2-3,5H2,1H3,(H2,13,14)
InChIKeyUAIWOKHFSKYJCS-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.68
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62797699) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62797699
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cc1csc(N)n1
InChIInChI=1S/C9H12F3N3OS/c1-2-15(5-9(10,11)12)7(16)3-6-4-17-8(13)14-6/h4H,2-3,5H2,1H3,(H2,13,14)
InChIKeyUAIWOKHFSKYJCS-UHFFFAOYSA-N
XLogP1.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (CID 62797699) is 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UAIWOKHFSKYJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-2-15(5-9(10,11)12)7(16)3-6-4-17-8(13)14-6/h4H,2-3,5H2,1H3,(H2,13,14).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 267.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62797699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).