5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol

C13H10N4O2S2 — CID 122507695

IUPAC5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol
SMILESCOc1cc(O)c2sc(-c3cn4nc(C)sc4n3)nc2c1
InChIInChI=1S/C13H10N4O2S2/c1-6-16-17-5-9(15-13(17)20-6)12-14-8-3-7(19-2)4-10(18)11(8)21-12/h3-5,18H,1-2H3
InChIKeyZKTGSKXZSUHQFC-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.09
Rot. Bonds2

About 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol

5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol (PubChem CID 122507695) has the molecular formula C13H10N4O2S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol
PubChem CID122507695
Molecular FormulaC13H10N4O2S2
Molecular Weight318.38 g/mol
Exact Mass318.02
IUPAC Name5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol
SMILESCOc1cc(O)c2sc(-c3cn4nc(C)sc4n3)nc2c1
InChIInChI=1S/C13H10N4O2S2/c1-6-16-17-5-9(15-13(17)20-6)12-14-8-3-7(19-2)4-10(18)11(8)21-12/h3-5,18H,1-2H3
InChIKeyZKTGSKXZSUHQFC-UHFFFAOYSA-N
XLogP3.09
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol?
The IUPAC name of 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol (CID 122507695) is 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol.
What is the SMILES notation for 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol?
The canonical SMILES for 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol is COc1cc(O)c2sc(-c3cn4nc(C)sc4n3)nc2c1.
What is the InChIKey of 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol?
The InChIKey is ZKTGSKXZSUHQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S2/c1-6-16-17-5-9(15-13(17)20-6)12-14-8-3-7(19-2)4-10(18)11(8)21-12/h3-5,18H,1-2H3.
What are the key properties of 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol?
5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol has a molecular weight of 318.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol is sourced from PubChem (CID 122507695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).