2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid

C5H6N2O3S — CID 15137536

IUPAC2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid
SMILESNC(C(=O)O)c1csc(=O)[nH]1
InChIInChI=1S/C5H6N2O3S/c6-3(4(8)9)2-1-11-5(10)7-2/h1,3H,6H2,(H,7,10)(H,8,9)
InChIKeyNZNAQTNWQJKCNG-UHFFFAOYSA-N
MW174.18 g/mol
LogP-0.48
Rot. Bonds2

About 2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid

2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid (PubChem CID 15137536) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is 2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid
PubChem CID15137536
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid
SMILESNC(C(=O)O)c1csc(=O)[nH]1
InChIInChI=1S/C5H6N2O3S/c6-3(4(8)9)2-1-11-5(10)7-2/h1,3H,6H2,(H,7,10)(H,8,9)
InChIKeyNZNAQTNWQJKCNG-UHFFFAOYSA-N
XLogP-0.48
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid
CID 70407271
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380874
2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106382352
2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid
CID 127020593

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid (CID 15137536) is 2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid is NC(C(=O)O)c1csc(=O)[nH]1.
What is the InChIKey of 2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid?
The InChIKey is NZNAQTNWQJKCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c6-3(4(8)9)2-1-11-5(10)7-2/h1,3H,6H2,(H,7,10)(H,8,9).
What are the key properties of 2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid?
2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid has a molecular weight of 174.18 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 15137536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).