5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine

C10H13NOS — CID 84619364

IUPAC5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCOc1ccc(C)c2c1NCCS2
InChIInChI=1S/C10H13NOS/c1-7-3-4-8(12-2)9-10(7)13-6-5-11-9/h3-4,11H,5-6H2,1-2H3
InChIKeyNIROFMODNLUEHC-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.52
Rot. Bonds1

About 5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine

5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 84619364) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID84619364
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCOc1ccc(C)c2c1NCCS2
InChIInChI=1S/C10H13NOS/c1-7-3-4-8(12-2)9-10(7)13-6-5-11-9/h3-4,11H,5-6H2,1-2H3
InChIKeyNIROFMODNLUEHC-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine
CID 84624461
2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84634448
5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84621295
6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 82158148
9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 82396298
9-methoxy-6-methylspiro[3,4-dihydro-2H-1-benzothiepine-5,3'-pyrrolidine]
CID 82624584
2,3-diiodo-1-methoxy-4-methylbenzene
CID 130056548
8-methoxy-3,4-dihydro-2H-thiochromen-5-ol
CID 154301881
2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,8-dimethoxy-[1,3]dithiolo[4,5-b][1,4]benzodithiine
CID 10672794
5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one
CID 15045572
5-(2-chloroethyl)-8-methoxy-1,2,3,4-tetrahydroquinoline
CID 54084258
7-methoxy-4-methylspiro[1H-indole-3,4'-piperidine]-2-one
CID 84632325

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine (CID 84619364) is 5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine is COc1ccc(C)c2c1NCCS2.
What is the InChIKey of 5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is NIROFMODNLUEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-3-4-8(12-2)9-10(7)13-6-5-11-9/h3-4,11H,5-6H2,1-2H3.
What are the key properties of 5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine?
5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 195.29 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 84619364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).