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

C11H12N2OS — CID 121006164

IUPAC8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)SC1=NCCCN12
InChIInChI=1S/C11H12N2OS/c1-14-8-3-4-9-10(7-8)15-11-12-5-2-6-13(9)11/h3-4,7H,2,5-6H2,1H3
InChIKeyRAAIKEOEPDYFAK-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.37
Rot. Bonds1

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

8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole (PubChem CID 121006164) 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[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
PubChem CID121006164
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)SC1=NCCCN12
InChIInChI=1S/C11H12N2OS/c1-14-8-3-4-9-10(7-8)15-11-12-5-2-6-13(9)11/h3-4,7H,2,5-6H2,1H3
InChIKeyRAAIKEOEPDYFAK-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide
CID 722139
1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride
CID 142626465
8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
CID 118730100
18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one
CID 21400393
2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine
CID 45095290
3-methoxy-10-methylphenothiazine
CID 18761115
diethyl 2-[[3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-yl(methyl)amino]methylidene]propanedioate
CID 13338595
2,8-dimethoxythianthrene
CID 71400378
9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
CID 71454952
1-(2,4-dimethoxyphenyl)piperidine-2,3-dione
CID 117013794
7-methoxy-N,10-dimethylphenothiazin-3-amine
CID 70686558
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole?
The IUPAC name of 8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole (CID 121006164) is 8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole?
The canonical SMILES for 8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole is COc1ccc2c(c1)SC1=NCCCN12.
What is the InChIKey of 8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole?
The InChIKey is RAAIKEOEPDYFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-14-8-3-4-9-10(7-8)15-11-12-5-2-6-13(9)11/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole?
8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole has a molecular weight of 220.30 g/mol, XLogP of 2.37, 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[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 121006164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).