2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C8H10F3N3O2S — CID 106380838

IUPAC2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1csc(=O)[nH]1)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)4-13-6(15)2-12-1-5-3-17-7(16)14-5/h3,12H,1-2,4H2,(H,13,15)(H,14,16)
InChIKeyHHPZXRKLDNPNQZ-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.20
Rot. Bonds5

About 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106380838) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106380838
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1csc(=O)[nH]1)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)4-13-6(15)2-12-1-5-3-17-7(16)14-5/h3,12H,1-2,4H2,(H,13,15)(H,14,16)
InChIKeyHHPZXRKLDNPNQZ-UHFFFAOYSA-N
XLogP0.20
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 132381750
N-[2-(2,2-difluoroethylamino)-2-oxoethyl]thiophen-1-ium-1-carboxamide
CID 162568493
2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide
CID 71979625
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 78846841
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 78858516
N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858739
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103862860
2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103862883
4-[(4,4,4-trifluorobutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380757
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106380787
4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380934
2-amino-3,3,3-trifluoro-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106381292

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 106380838) is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCc1csc(=O)[nH]1)NCC(F)(F)F.
What is the InChIKey of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HHPZXRKLDNPNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c9-8(10,11)4-13-6(15)2-12-1-5-3-17-7(16)14-5/h3,12H,1-2,4H2,(H,13,15)(H,14,16).
What are the key properties of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 269.25 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106380838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).