3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine

C10H13NS — CID 84618482

IUPAC3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCc1ccc2c(c1)NC(C)CS2
InChIInChI=1S/C10H13NS/c1-7-3-4-10-9(5-7)11-8(2)6-12-10/h3-5,8,11H,6H2,1-2H3
InChIKeyFFZVWTYZPKVGJN-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.90
Rot. Bonds

About 3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine

3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 84618482) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID84618482
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCc1ccc2c(c1)NC(C)CS2
InChIInChI=1S/C10H13NS/c1-7-3-4-10-9(5-7)11-8(2)6-12-10/h3-5,8,11H,6H2,1-2H3
InChIKeyFFZVWTYZPKVGJN-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazepin-5-one
CID 58484402
2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84621176
5-methyl-2,3-dihydro-1,3-benzothiazole
CID 22342374
N-methyl-3-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628599
(2S)-2,6-dimethyl-2,3-dihydro-1H-indole
CID 130731712
3-methyl-7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine
CID 84620973
7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile
CID 84618927
3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine-2-carbonitrile
CID 84620392
(3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
CID 84621174
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
3,5-dimethyl-2,3-dihydro-1,2-benzothiazole
CID 58047185
2,4,4,6-tetramethyl-2,3-dihydro-1H-quinoline
CID 117272132

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine (CID 84618482) is 3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine is Cc1ccc2c(c1)NC(C)CS2.
What is the InChIKey of 3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is FFZVWTYZPKVGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-7-3-4-10-9(5-7)11-8(2)6-12-10/h3-5,8,11H,6H2,1-2H3.
What are the key properties of 3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 179.29 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 84618482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).