1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid

C6H10N2O2S — CID 175438345

IUPAC1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid
SMILESO=C(O)C1NCN2CSCC12
InChIInChI=1S/C6H10N2O2S/c9-6(10)5-4-1-11-3-8(4)2-7-5/h4-5,7H,1-3H2,(H,9,10)
InChIKeyOCOQMPRALOIBRM-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.62
Rot. Bonds1

About 1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid

1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid (PubChem CID 175438345) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid.

Molecular Properties

Compound Name1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid
PubChem CID175438345
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid
SMILESO=C(O)C1NCN2CSCC12
InChIInChI=1S/C6H10N2O2S/c9-6(10)5-4-1-11-3-8(4)2-7-5/h4-5,7H,1-3H2,(H,9,10)
InChIKeyOCOQMPRALOIBRM-UHFFFAOYSA-N
XLogP-0.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid?
The IUPAC name of 1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid (CID 175438345) is 1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid.
What is the SMILES notation for 1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid?
The canonical SMILES for 1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid is O=C(O)C1NCN2CSCC12.
What is the InChIKey of 1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid?
The InChIKey is OCOQMPRALOIBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c9-6(10)5-4-1-11-3-8(4)2-7-5/h4-5,7H,1-3H2,(H,9,10).
What are the key properties of 1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid?
1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid has a molecular weight of 174.22 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6,7,7a-hexahydroimidazo[1,5-c][1,3]thiazole-7-carboxylic acid is sourced from PubChem (CID 175438345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).