9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine

C18H17N3OS — CID 71454952

IUPAC9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
SMILES[H]/N=C1\Sc2cc(-c3cccc(OC)c3)ccc2C2=NCCCN21
InChIInChI=1S/C18H17N3OS/c1-22-14-5-2-4-12(10-14)13-6-7-15-16(11-13)23-18(19)21-9-3-8-20-17(15)21/h2,4-7,10-11,19H,3,8-9H2,1H3/b19-18-
InChIKeyJKRGUBIRESILHR-HNENSFHCSA-N
MW323.42 g/mol
LogP3.85
Rot. Bonds2

About 9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine

9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine (PubChem CID 71454952) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine.

Molecular Properties

Compound Name9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
PubChem CID71454952
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
SMILES[H]/N=C1\Sc2cc(-c3cccc(OC)c3)ccc2C2=NCCCN21
InChIInChI=1S/C18H17N3OS/c1-22-14-5-2-4-12(10-14)13-6-7-15-16(11-13)23-18(19)21-9-3-8-20-17(15)21/h2,4-7,10-11,19H,3,8-9H2,1H3/b19-18-
InChIKeyJKRGUBIRESILHR-HNENSFHCSA-N
XLogP3.85
TPSA48.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
9-bromo-1'-[(4-methoxyphenyl)methoxy]spiro[2,4-dihydropyrimido[1,2-c][1,3]benzothiazine-3,4'-piperidine]-6-imine
CID 71597229
2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine
CID 45095290
8-methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
CID 121006164
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 53229205

Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine?
The IUPAC name of 9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine (CID 71454952) is 9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine.
What is the SMILES notation for 9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine?
The canonical SMILES for 9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine is [H]/N=C1\Sc2cc(-c3cccc(OC)c3)ccc2C2=NCCCN21.
What is the InChIKey of 9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine?
The InChIKey is JKRGUBIRESILHR-HNENSFHCSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-22-14-5-2-4-12(10-14)13-6-7-15-16(11-13)23-18(19)21-9-3-8-20-17(15)21/h2,4-7,10-11,19H,3,8-9H2,1H3/b19-18-.
What are the key properties of 9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine?
9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine has a molecular weight of 323.42 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine is sourced from PubChem (CID 71454952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).