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

C6H8N2O2S — CID 82411879

IUPAC2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid
SMILESCc1cnsc1C(N)C(=O)O
InChIInChI=1S/C6H8N2O2S/c1-3-2-8-11-5(3)4(7)6(9)10/h2,4H,7H2,1H3,(H,9,10)
InChIKeyPDTAHWBODUUBQT-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.54
Rot. Bonds2

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

2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid (PubChem CID 82411879) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid
PubChem CID82411879
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid
SMILESCc1cnsc1C(N)C(=O)O
InChIInChI=1S/C6H8N2O2S/c1-3-2-8-11-5(3)4(7)6(9)10/h2,4H,7H2,1H3,(H,9,10)
InChIKeyPDTAHWBODUUBQT-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid (CID 82411879) is 2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid is Cc1cnsc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid?
The InChIKey is PDTAHWBODUUBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-3-2-8-11-5(3)4(7)6(9)10/h2,4H,7H2,1H3,(H,9,10).
What are the key properties of 2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid?
2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid has a molecular weight of 172.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82411879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).