2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C12H10F3N3O2S — CID 1387313

IUPAC2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESNC1=NC(=O)[C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)S1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)6-1-3-7(4-2-6)17-9(19)5-8-10(20)18-11(16)21-8/h1-4,8H,5H2,(H,17,19)(H2,16,18,20)/t8-/m1/s1
InChIKeyTUVNENIJWLJKPN-MRVPVSSYSA-N
MW317.29 g/mol
LogP1.99
Rot. Bonds3

About 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 1387313) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID1387313
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESNC1=NC(=O)[C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)S1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)6-1-3-7(4-2-6)17-9(19)5-8-10(20)18-11(16)21-8/h1-4,8H,5H2,(H,17,19)(H2,16,18,20)/t8-/m1/s1
InChIKeyTUVNENIJWLJKPN-MRVPVSSYSA-N
XLogP1.99
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
CID 3936820
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)acetamide
CID 7164202
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide
CID 6554686
[4-[[2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]acetyl]amino]phenyl] acetate
CID 1350500
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 2897686
N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide
CID 11963472
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 7158134
2-[2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17172612
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1069348
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide
CID 11963349
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 138376642
potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate
CID 23696711

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 1387313) is 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is NC1=NC(=O)[C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)S1.
What is the InChIKey of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is TUVNENIJWLJKPN-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)6-1-3-7(4-2-6)17-9(19)5-8-10(20)18-11(16)21-8/h1-4,8H,5H2,(H,17,19)(H2,16,18,20)/t8-/m1/s1.
What are the key properties of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 317.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1387313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).