2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide

C11H10ClN3O2S — CID 7158134

IUPAC2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
SMILESNC1=NC(=O)[C@H](CC(=O)Nc2ccccc2Cl)S1
InChIInChI=1S/C11H10ClN3O2S/c12-6-3-1-2-4-7(6)14-9(16)5-8-10(17)15-11(13)18-8/h1-4,8H,5H2,(H,14,16)(H2,13,15,17)/t8-/m0/s1
InChIKeyAVRZMHUNYKIRKY-QMMMGPOBSA-N
MW283.74 g/mol
LogP1.63
Rot. Bonds3

About 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide

2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 7158134) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
PubChem CID7158134
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
SMILESNC1=NC(=O)[C@H](CC(=O)Nc2ccccc2Cl)S1
InChIInChI=1S/C11H10ClN3O2S/c12-6-3-1-2-4-7(6)14-9(16)5-8-10(17)15-11(13)18-8/h1-4,8H,5H2,(H,14,16)(H2,13,15,17)/t8-/m0/s1
InChIKeyAVRZMHUNYKIRKY-QMMMGPOBSA-N
XLogP1.63
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 17420291
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
N-(2-chlorophenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide
CID 9419559
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide
CID 1355205
N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide
CID 11963472
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1387313
2-[(5R)-2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dichlorophenyl)acetamide
CID 29102657
N-(2-chlorophenyl)-2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 92655369
N-(3-chloro-2-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097416
N-(3-chloro-2-methylphenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097413
[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

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide (CID 7158134) is 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide is NC1=NC(=O)[C@H](CC(=O)Nc2ccccc2Cl)S1.
What is the InChIKey of 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is AVRZMHUNYKIRKY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c12-6-3-1-2-4-7(6)14-9(16)5-8-10(17)15-11(13)18-8/h1-4,8H,5H2,(H,14,16)(H2,13,15,17)/t8-/m0/s1.
What are the key properties of 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide?
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 283.74 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 7158134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).