2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide

C8H8F3N3O2S — CID 22916669

IUPAC2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CNC(=O)C(F)(F)F)NCc1nccs1
InChIInChI=1S/C8H8F3N3O2S/c9-8(10,11)7(16)14-3-5(15)13-4-6-12-1-2-17-6/h1-2H,3-4H2,(H,13,15)(H,14,16)
InChIKeyBNVYWHAQVOBIKM-UHFFFAOYSA-N
MW267.23 g/mol
LogP0.44
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide

2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide (PubChem CID 22916669) has the molecular formula C8H8F3N3O2S and a molecular weight of 267.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide
PubChem CID22916669
Molecular FormulaC8H8F3N3O2S
Molecular Weight267.23 g/mol
Exact Mass267.03
IUPAC Name2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CNC(=O)C(F)(F)F)NCc1nccs1
InChIInChI=1S/C8H8F3N3O2S/c9-8(10,11)7(16)14-3-5(15)13-4-6-12-1-2-17-6/h1-2H,3-4H2,(H,13,15)(H,14,16)
InChIKeyBNVYWHAQVOBIKM-UHFFFAOYSA-N
XLogP0.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Thiazole-2-carboxamide
CID 17750911
N,N-Diethyl-2-thiazolecarboxamide
CID 110695970
2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 62492184
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 86285742
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237746
1-methyl-1-(1,3-thiazol-2-ylmethyl)-3-[(2S)-1,1,1-trifluoropropan-2-yl]urea
CID 164642240
2-(N-methyl-N-trifluoroacetylaminomethylcarbonyl)aminomethylthiazole
CID 22916734
(2R)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 53800979
2-[(N-trifluoroacetyl-D-seryl)amino]methylthiazole
CID 54162880
2-[(N-trifluoroacetyl-L-seryl)amino]methylthiazole
CID 54162881
(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 54244431

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide (CID 22916669) is 2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide is O=C(CNC(=O)C(F)(F)F)NCc1nccs1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide?
The InChIKey is BNVYWHAQVOBIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2S/c9-8(10,11)7(16)14-3-5(15)13-4-6-12-1-2-17-6/h1-2H,3-4H2,(H,13,15)(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide?
2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide has a molecular weight of 267.23 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 22916669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).