2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine

C10H13NS — CID 84618469

IUPAC2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCc1ccc2c(c1)SC(C)CN2
InChIInChI=1S/C10H13NS/c1-7-3-4-9-10(5-7)12-8(2)6-11-9/h3-5,8,11H,6H2,1-2H3
InChIKeyIGKCYDILRCXASG-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.90
Rot. Bonds

About 2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine

2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 84618469) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID84618469
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCc1ccc2c(c1)SC(C)CN2
InChIInChI=1S/C10H13NS/c1-7-3-4-9-10(5-7)12-8(2)6-11-9/h3-5,8,11H,6H2,1-2H3
InChIKeyIGKCYDILRCXASG-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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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine (CID 84618469) is 2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine is Cc1ccc2c(c1)SC(C)CN2.
What is the InChIKey of 2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is IGKCYDILRCXASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-7-3-4-9-10(5-7)12-8(2)6-11-9/h3-5,8,11H,6H2,1-2H3.
What are the key properties of 2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
2,7-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 2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 84618469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).