6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole

C18H15N5OS — CID 170340974

IUPAC6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole
SMILESCOc1cccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCN3)n1
InChIInChI=1S/C18H15N5OS/c1-24-15-4-2-3-13(21-15)16-17(23-8-7-19-18(23)22-16)11-5-6-12-14(9-11)25-10-20-12/h2-6,9-10H,7-8H2,1H3,(H,19,22)
InChIKeyHMXKPOFMTQUZEF-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.66
Rot. Bonds3

About 6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole

6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole (PubChem CID 170340974) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole
PubChem CID170340974
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole
SMILESCOc1cccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCN3)n1
InChIInChI=1S/C18H15N5OS/c1-24-15-4-2-3-13(21-15)16-17(23-8-7-19-18(23)22-16)11-5-6-12-14(9-11)25-10-20-12/h2-6,9-10H,7-8H2,1H3,(H,19,22)
InChIKeyHMXKPOFMTQUZEF-UHFFFAOYSA-N
XLogP3.66
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole?
The IUPAC name of 6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole (CID 170340974) is 6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole is COc1cccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCN3)n1.
What is the InChIKey of 6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole?
The InChIKey is HMXKPOFMTQUZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-24-15-4-2-3-13(21-15)16-17(23-8-7-19-18(23)22-16)11-5-6-12-14(9-11)25-10-20-12/h2-6,9-10H,7-8H2,1H3,(H,19,22).
What are the key properties of 6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole?
6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole has a molecular weight of 349.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole is sourced from PubChem (CID 170340974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).