2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid

C6H8N2O2S — CID 83777548

IUPAC2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid
SMILESCc1nc(CC(=O)O)c(N)s1
InChIInChI=1S/C6H8N2O2S/c1-3-8-4(2-5(9)10)6(7)11-3/h2,7H2,1H3,(H,9,10)
InChIKeyXBVQLTMSHSVUQV-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.66
Rot. Bonds2

About 2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid

2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid (PubChem CID 83777548) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid
PubChem CID83777548
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid
SMILESCc1nc(CC(=O)O)c(N)s1
InChIInChI=1S/C6H8N2O2S/c1-3-8-4(2-5(9)10)6(7)11-3/h2,7H2,1H3,(H,9,10)
InChIKeyXBVQLTMSHSVUQV-UHFFFAOYSA-N
XLogP0.66
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid
CID 83824395
2-(5-hexadecyl-2-methyl-1,3-thiazol-4-yl)acetic acid
CID 102100077
2-[2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetic acid
CID 82069285
2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid
CID 83867143
2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid
CID 82069216
2-[5-(3-bromo-4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid
CID 174624909
3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82428151
2-(2-methyl-4-nitro-1,3-thiazol-5-yl)acetic acid
CID 83881121
ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 143933478
2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid
CID 83824482
2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 174620531
2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide
CID 175338696

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid (CID 83777548) is 2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid is Cc1nc(CC(=O)O)c(N)s1.
What is the InChIKey of 2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is XBVQLTMSHSVUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-3-8-4(2-5(9)10)6(7)11-3/h2,7H2,1H3,(H,9,10).
What are the key properties of 2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid?
2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 172.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 83777548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).