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

C8H12N2O2S — CID 116886647

IUPAC2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCCc1nc(C)c(C(N)C(=O)O)s1
InChIInChI=1S/C8H12N2O2S/c1-3-5-10-4(2)7(13-5)6(9)8(11)12/h6H,3,9H2,1-2H3,(H,11,12)
InChIKeyWBCNHCGMAYFNTA-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.10
Rot. Bonds3

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

2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 116886647) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid
PubChem CID116886647
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCCc1nc(C)c(C(N)C(=O)O)s1
InChIInChI=1S/C8H12N2O2S/c1-3-5-10-4(2)7(13-5)6(9)8(11)12/h6H,3,9H2,1-2H3,(H,11,12)
InChIKeyWBCNHCGMAYFNTA-UHFFFAOYSA-N
XLogP1.10
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid
CID 116887386
2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 83895300
4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119892961
2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 116886675
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115705663
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine
CID 116887345
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine
CID 119034593
1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine
CID 82428207
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine
CID 115919198
azane;2-ethyl-4,5-dimethyl-1,3-thiazole
CID 69061774
4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 83529575
2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 110460143

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid (CID 116886647) is 2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid is CCc1nc(C)c(C(N)C(=O)O)s1.
What is the InChIKey of 2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is WBCNHCGMAYFNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-5-10-4(2)7(13-5)6(9)8(11)12/h6H,3,9H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid?
2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 200.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 116886647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).