3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid

C10H6N2O2S2 — CID 82382760

IUPAC3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1cnc2sccn12
InChIInChI=1S/C10H6N2O2S2/c13-9(14)8-6(1-3-15-8)7-5-11-10-12(7)2-4-16-10/h1-5H,(H,13,14)
InChIKeyNRCBPWASZRXPSW-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.82
Rot. Bonds2

About 3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid

3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid (PubChem CID 82382760) has the molecular formula C10H6N2O2S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid
PubChem CID82382760
Molecular FormulaC10H6N2O2S2
Molecular Weight250.30 g/mol
Exact Mass249.99
IUPAC Name3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1cnc2sccn12
InChIInChI=1S/C10H6N2O2S2/c13-9(14)8-6(1-3-15-8)7-5-11-10-12(7)2-4-16-10/h1-5H,(H,13,14)
InChIKeyNRCBPWASZRXPSW-UHFFFAOYSA-N
XLogP2.82
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid (CID 82382760) is 3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid is O=C(O)c1sccc1-c1cnc2sccn12.
What is the InChIKey of 3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid?
The InChIKey is NRCBPWASZRXPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2S2/c13-9(14)8-6(1-3-15-8)7-5-11-10-12(7)2-4-16-10/h1-5H,(H,13,14).
What are the key properties of 3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid?
3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 82382760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).