2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide

C12H10N4O2S — CID 11963349

IUPAC2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CC2SC(N)=NC2=O)c1
InChIInChI=1S/C12H10N4O2S/c13-6-7-2-1-3-8(4-7)15-10(17)5-9-11(18)16-12(14)19-9/h1-4,9H,5H2,(H,15,17)(H2,14,16,18)
InChIKeyPPBFBPBTTSWYGW-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.84
Rot. Bonds3

About 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide

2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide (PubChem CID 11963349) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide
PubChem CID11963349
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CC2SC(N)=NC2=O)c1
InChIInChI=1S/C12H10N4O2S/c13-6-7-2-1-3-8(4-7)15-10(17)5-9-11(18)16-12(14)19-9/h1-4,9H,5H2,(H,15,17)(H2,14,16,18)
InChIKeyPPBFBPBTTSWYGW-UHFFFAOYSA-N
XLogP0.84
TPSA108.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-hydroxyphenyl)acetamide
CID 7164202
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 7158134
2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
CID 16782050
[4-[[2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]acetyl]amino]phenyl] acetate
CID 1350500
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide
CID 40602337
2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
CID 79851880
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-[2-(diaminomethylideneamino)-4-oxo-1,3-thiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17172612
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide (CID 11963349) is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CC2SC(N)=NC2=O)c1.
What is the InChIKey of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide?
The InChIKey is PPBFBPBTTSWYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c13-6-7-2-1-3-8(4-7)15-10(17)5-9-11(18)16-12(14)19-9/h1-4,9H,5H2,(H,15,17)(H2,14,16,18).
What are the key properties of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide?
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide has a molecular weight of 274.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 11963349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).