2-(2-acetamido-1,3-thiazol-5-yl)acetic acid

C7H8N2O3S — CID 43840158

IUPAC2-(2-acetamido-1,3-thiazol-5-yl)acetic acid
SMILESCC(=O)Nc1ncc(CC(=O)O)s1
InChIInChI=1S/C7H8N2O3S/c1-4(10)9-7-8-3-5(13-7)2-6(11)12/h3H,2H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyXJUNWZUDOPMBLH-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-acetamido-1,3-thiazol-5-yl)acetic acid

2-(2-acetamido-1,3-thiazol-5-yl)acetic acid (PubChem CID 43840158) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-(2-acetamido-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-acetamido-1,3-thiazol-5-yl)acetic acid
PubChem CID43840158
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name2-(2-acetamido-1,3-thiazol-5-yl)acetic acid
SMILESCC(=O)Nc1ncc(CC(=O)O)s1
InChIInChI=1S/C7H8N2O3S/c1-4(10)9-7-8-3-5(13-7)2-6(11)12/h3H,2H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyXJUNWZUDOPMBLH-UHFFFAOYSA-N
XLogP0.73
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-acetamido-1,3-thiazol-5-yl)acetic acid (CID 43840158) is 2-(2-acetamido-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-acetamido-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-acetamido-1,3-thiazol-5-yl)acetic acid is CC(=O)Nc1ncc(CC(=O)O)s1.
What is the InChIKey of 2-(2-acetamido-1,3-thiazol-5-yl)acetic acid?
The InChIKey is XJUNWZUDOPMBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-4(10)9-7-8-3-5(13-7)2-6(11)12/h3H,2H2,1H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-(2-acetamido-1,3-thiazol-5-yl)acetic acid?
2-(2-acetamido-1,3-thiazol-5-yl)acetic acid has a molecular weight of 200.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 43840158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).