2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid

C8H6N2O2S2 — CID 53271730

IUPAC2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(-c2cccs2)s1
InChIInChI=1S/C8H6N2O2S2/c9-8-10-5(7(11)12)6(14-8)4-2-1-3-13-4/h1-3H,(H2,9,10)(H,11,12)
InChIKeyIYCSIOAWNZMZKI-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.15
Rot. Bonds2

About 2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid

2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 53271730) has the molecular formula C8H6N2O2S2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID53271730
Molecular FormulaC8H6N2O2S2
Molecular Weight226.28 g/mol
Exact Mass225.99
IUPAC Name2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(-c2cccs2)s1
InChIInChI=1S/C8H6N2O2S2/c9-8-10-5(7(11)12)6(14-8)4-2-1-3-13-4/h1-3H,(H2,9,10)(H,11,12)
InChIKeyIYCSIOAWNZMZKI-UHFFFAOYSA-N
XLogP2.15
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid (CID 53271730) is 2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid is Nc1nc(C(=O)O)c(-c2cccs2)s1.
What is the InChIKey of 2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is IYCSIOAWNZMZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S2/c9-8-10-5(7(11)12)6(14-8)4-2-1-3-13-4/h1-3H,(H2,9,10)(H,11,12).
What are the key properties of 2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 53271730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).