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

C9H8N2O2S2 — CID 104527084

IUPAC2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid
SMILESNC(C(=O)O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C9H8N2O2S2/c10-7(9(12)13)6-4-15-8(11-6)5-1-2-14-3-5/h1-4,7H,10H2,(H,12,13)
InChIKeyMOMXUPLILVUYEN-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.96
Rot. Bonds3

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

2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid (PubChem CID 104527084) has the molecular formula C9H8N2O2S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid
PubChem CID104527084
Molecular FormulaC9H8N2O2S2
Molecular Weight240.31 g/mol
Exact Mass240.00
IUPAC Name2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid
SMILESNC(C(=O)O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C9H8N2O2S2/c10-7(9(12)13)6-4-15-8(11-6)5-1-2-14-3-5/h1-4,7H,10H2,(H,12,13)
InChIKeyMOMXUPLILVUYEN-UHFFFAOYSA-N
XLogP1.96
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.96
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-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid (CID 104527084) is 2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid is NC(C(=O)O)c1csc(-c2ccsc2)n1.
What is the InChIKey of 2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is MOMXUPLILVUYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S2/c10-7(9(12)13)6-4-15-8(11-6)5-1-2-14-3-5/h1-4,7H,10H2,(H,12,13).
What are the key properties of 2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid?
2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 240.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 104527084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).