4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid

C10H9ClN4O2S — CID 80687100

IUPAC4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCn3ccnc3C2)nc1Cl
InChIInChI=1S/C10H9ClN4O2S/c11-8-7(9(16)17)18-10(13-8)15-4-3-14-2-1-12-6(14)5-15/h1-2H,3-5H2,(H,16,17)
InChIKeyODJDDMSRQUXWFJ-UHFFFAOYSA-N
MW284.73 g/mol
LogP1.71
Rot. Bonds2

About 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid

4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 80687100) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID80687100
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC Name4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCn3ccnc3C2)nc1Cl
InChIInChI=1S/C10H9ClN4O2S/c11-8-7(9(16)17)18-10(13-8)15-4-3-14-2-1-12-6(14)5-15/h1-2H,3-5H2,(H,16,17)
InChIKeyODJDDMSRQUXWFJ-UHFFFAOYSA-N
XLogP1.71
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid (CID 80687100) is 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(N2CCn3ccnc3C2)nc1Cl.
What is the InChIKey of 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ODJDDMSRQUXWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c11-8-7(9(16)17)18-10(13-8)15-4-3-14-2-1-12-6(14)5-15/h1-2H,3-5H2,(H,16,17).
What are the key properties of 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid?
4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 284.73 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80687100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).