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

C6H10N2O2S — CID 67024364

IUPAC2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid
SMILESCC1(N)NC(CC(=O)O)=CS1
InChIInChI=1S/C6H10N2O2S/c1-6(7)8-4(3-11-6)2-5(9)10/h3,8H,2,7H2,1H3,(H,9,10)
InChIKeyZSFZPOXQMOZZDS-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.27
Rot. Bonds2

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

2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid (PubChem CID 67024364) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid
PubChem CID67024364
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid
SMILESCC1(N)NC(CC(=O)O)=CS1
InChIInChI=1S/C6H10N2O2S/c1-6(7)8-4(3-11-6)2-5(9)10/h3,8H,2,7H2,1H3,(H,9,10)
InChIKeyZSFZPOXQMOZZDS-UHFFFAOYSA-N
XLogP0.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid (CID 67024364) is 2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid is CC1(N)NC(CC(=O)O)=CS1.
What is the InChIKey of 2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid?
The InChIKey is ZSFZPOXQMOZZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-6(7)8-4(3-11-6)2-5(9)10/h3,8H,2,7H2,1H3,(H,9,10).
What are the key properties of 2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid?
2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid has a molecular weight of 174.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methyl-3H-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 67024364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).