9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole

C11H12N2S — CID 118730107

IUPAC9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
SMILESCc1ccc2c(c1)C1=NCCCN1S2
InChIInChI=1S/C11H12N2S/c1-8-3-4-10-9(7-8)11-12-5-2-6-13(11)14-10/h3-4,7H,2,5-6H2,1H3
InChIKeyLYNRUKUVURBZRN-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.47
Rot. Bonds

About 9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole

9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole (PubChem CID 118730107) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole.

Molecular Properties

Compound Name9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
PubChem CID118730107
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
SMILESCc1ccc2c(c1)C1=NCCCN1S2
InChIInChI=1S/C11H12N2S/c1-8-3-4-10-9(7-8)11-12-5-2-6-13(11)14-10/h3-4,7H,2,5-6H2,1H3
InChIKeyLYNRUKUVURBZRN-UHFFFAOYSA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole?
The IUPAC name of 9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole (CID 118730107) is 9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole.
What is the SMILES notation for 9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole?
The canonical SMILES for 9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole is Cc1ccc2c(c1)C1=NCCCN1S2.
What is the InChIKey of 9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole?
The InChIKey is LYNRUKUVURBZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-3-4-10-9(7-8)11-12-5-2-6-13(11)14-10/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole?
9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole has a molecular weight of 204.30 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole is sourced from PubChem (CID 118730107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).