5-methylpyrido[3,4-b][1,4]benzothiazine

C12H10N2S — CID 23521305

IUPAC5-methylpyrido[3,4-b][1,4]benzothiazine
SMILESCN1c2ccccc2Sc2cnccc21
InChIInChI=1S/C12H10N2S/c1-14-9-4-2-3-5-11(9)15-12-8-13-7-6-10(12)14/h2-8H,1H3
InChIKeyCDGCQPZVMIALJZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.31
Rot. Bonds

About 5-methylpyrido[3,4-b][1,4]benzothiazine

5-methylpyrido[3,4-b][1,4]benzothiazine (PubChem CID 23521305) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-methylpyrido[3,4-b][1,4]benzothiazine.

Molecular Properties

Compound Name5-methylpyrido[3,4-b][1,4]benzothiazine
PubChem CID23521305
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name5-methylpyrido[3,4-b][1,4]benzothiazine
SMILESCN1c2ccccc2Sc2cnccc21
InChIInChI=1S/C12H10N2S/c1-14-9-4-2-3-5-11(9)15-12-8-13-7-6-10(12)14/h2-8H,1H3
InChIKeyCDGCQPZVMIALJZ-UHFFFAOYSA-N
XLogP3.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-methyl-3-pyridin-4-ylphenothiazine
CID 71011962
5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine
CID 122433704
10-(2-pyridin-3-ylethyl)phenothiazine
CID 134853152
9-ethyl-2-thia-5,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 16742382
3-methoxy-10-methylphenothiazine
CID 18761115
N,N-diethyl-2-(2-thia-5,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)ethanamine
CID 16742386
10-[4-[4-[3-(4-phenothiazin-10-ylphenyl)-4-pyridinyl]-3-pyridinyl]phenyl]phenothiazine
CID 122433873
2-(10-methylphenothiazin-2-yl)acetaldehyde
CID 87418442
9-(2-pyrrolidin-1-ylethyl)-2-thia-5,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 46702209
10-(5-phenylbenzo[g]isoquinolin-10-yl)phenothiazine
CID 59183317
10-methyl-6,7-didehydrophenothiazine
CID 146209378
4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile
CID 146543457

Frequently Asked Questions

What is the IUPAC name of 5-methylpyrido[3,4-b][1,4]benzothiazine?
The IUPAC name of 5-methylpyrido[3,4-b][1,4]benzothiazine (CID 23521305) is 5-methylpyrido[3,4-b][1,4]benzothiazine.
What is the SMILES notation for 5-methylpyrido[3,4-b][1,4]benzothiazine?
The canonical SMILES for 5-methylpyrido[3,4-b][1,4]benzothiazine is CN1c2ccccc2Sc2cnccc21.
What is the InChIKey of 5-methylpyrido[3,4-b][1,4]benzothiazine?
The InChIKey is CDGCQPZVMIALJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-14-9-4-2-3-5-11(9)15-12-8-13-7-6-10(12)14/h2-8H,1H3.
What are the key properties of 5-methylpyrido[3,4-b][1,4]benzothiazine?
5-methylpyrido[3,4-b][1,4]benzothiazine has a molecular weight of 214.29 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrido[3,4-b][1,4]benzothiazine is sourced from PubChem (CID 23521305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).