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

C8H12N2O2S2 — CID 83895300

IUPAC2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCCSc1nc(C)c(C(N)C(=O)O)s1
InChIInChI=1S/C8H12N2O2S2/c1-3-13-8-10-4(2)6(14-8)5(9)7(11)12/h5H,3,9H2,1-2H3,(H,11,12)
InChIKeyHCSINTDOGTUDEZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.65
Rot. Bonds4

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

2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 83895300) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid
PubChem CID83895300
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCCSc1nc(C)c(C(N)C(=O)O)s1
InChIInChI=1S/C8H12N2O2S2/c1-3-13-8-10-4(2)6(14-8)5(9)7(11)12/h5H,3,9H2,1-2H3,(H,11,12)
InChIKeyHCSINTDOGTUDEZ-UHFFFAOYSA-N
XLogP1.65
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid (CID 83895300) is 2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid is CCSc1nc(C)c(C(N)C(=O)O)s1.
What is the InChIKey of 2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is HCSINTDOGTUDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-3-13-8-10-4(2)6(14-8)5(9)7(11)12/h5H,3,9H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid?
2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 232.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 83895300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).