8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole

C11H12N2OS — CID 118730100

IUPAC8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
SMILESCOc1ccc2c(c1)SN1CCCN=C21
InChIInChI=1S/C11H12N2OS/c1-14-8-3-4-9-10(7-8)15-13-6-2-5-12-11(9)13/h3-4,7H,2,5-6H2,1H3
InChIKeySAYINCGNTQEOFZ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.17
Rot. Bonds1

About 8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole

8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole (PubChem CID 118730100) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole.

Molecular Properties

Compound Name8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
PubChem CID118730100
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
SMILESCOc1ccc2c(c1)SN1CCCN=C21
InChIInChI=1S/C11H12N2OS/c1-14-8-3-4-9-10(7-8)15-13-6-2-5-12-11(9)13/h3-4,7H,2,5-6H2,1H3
InChIKeySAYINCGNTQEOFZ-UHFFFAOYSA-N
XLogP2.17
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole?
The IUPAC name of 8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole (CID 118730100) is 8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole.
What is the SMILES notation for 8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole?
The canonical SMILES for 8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole is COc1ccc2c(c1)SN1CCCN=C21.
What is the InChIKey of 8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole?
The InChIKey is SAYINCGNTQEOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-14-8-3-4-9-10(7-8)15-13-6-2-5-12-11(9)13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole?
8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole has a molecular weight of 220.30 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole is sourced from PubChem (CID 118730100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).