2-amino-2-(1,2-thiazol-5-yl)acetic acid

C5H6N2O2S — CID 82415777

IUPAC2-amino-2-(1,2-thiazol-5-yl)acetic acid
SMILESNC(C(=O)O)c1ccns1
InChIInChI=1S/C5H6N2O2S/c6-4(5(8)9)3-1-2-7-10-3/h1-2,4H,6H2,(H,8,9)
InChIKeyZNAYYBCITSVICM-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.23
Rot. Bonds2

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

2-amino-2-(1,2-thiazol-5-yl)acetic acid (PubChem CID 82415777) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-amino-2-(1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1,2-thiazol-5-yl)acetic acid
PubChem CID82415777
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name2-amino-2-(1,2-thiazol-5-yl)acetic acid
SMILESNC(C(=O)O)c1ccns1
InChIInChI=1S/C5H6N2O2S/c6-4(5(8)9)3-1-2-7-10-3/h1-2,4H,6H2,(H,8,9)
InChIKeyZNAYYBCITSVICM-UHFFFAOYSA-N
XLogP0.23
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(1,2-thiazol-5-yl)acetic acid (CID 82415777) is 2-amino-2-(1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1,2-thiazol-5-yl)acetic acid is NC(C(=O)O)c1ccns1.
What is the InChIKey of 2-amino-2-(1,2-thiazol-5-yl)acetic acid?
The InChIKey is ZNAYYBCITSVICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c6-4(5(8)9)3-1-2-7-10-3/h1-2,4H,6H2,(H,8,9).
What are the key properties of 2-amino-2-(1,2-thiazol-5-yl)acetic acid?
2-amino-2-(1,2-thiazol-5-yl)acetic acid has a molecular weight of 158.18 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82415777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).