2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide

C8H12N4O2S — CID 62798707

IUPAC2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
SMILESCC(NC(=O)Cc1csc(N)n1)C(N)=O
InChIInChI=1S/C8H12N4O2S/c1-4(7(9)14)11-6(13)2-5-3-15-8(10)12-5/h3-4H,2H2,1H3,(H2,9,14)(H2,10,12)(H,11,13)
InChIKeyYTKMDNYKZIMVTM-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.74
Rot. Bonds4

About 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide

2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide (PubChem CID 62798707) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
PubChem CID62798707
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
SMILESCC(NC(=O)Cc1csc(N)n1)C(N)=O
InChIInChI=1S/C8H12N4O2S/c1-4(7(9)14)11-6(13)2-5-3-15-8(10)12-5/h3-4H,2H2,1H3,(H2,9,14)(H2,10,12)(H,11,13)
InChIKeyYTKMDNYKZIMVTM-UHFFFAOYSA-N
XLogP-0.74
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide
CID 106344945
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 62797095
2-(2-amino-1,3-thiazol-4-yl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62798011
2-(2-amino-1,3-thiazol-4-yl)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049027
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 62798043
(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 107564975
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide
CID 62798369
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 62799997
(2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid
CID 62799107
2-(2-amino-1,3-thiazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 55120172
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide?
The IUPAC name of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide (CID 62798707) is 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide.
What is the SMILES notation for 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide?
The canonical SMILES for 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide is CC(NC(=O)Cc1csc(N)n1)C(N)=O.
What is the InChIKey of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide?
The InChIKey is YTKMDNYKZIMVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-4(7(9)14)11-6(13)2-5-3-15-8(10)12-5/h3-4H,2H2,1H3,(H2,9,14)(H2,10,12)(H,11,13).
What are the key properties of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide?
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide has a molecular weight of 228.28 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide is sourced from PubChem (CID 62798707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).