5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine

C12H17NS — CID 84620981

IUPAC5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
SMILESCCc1cccc2c1N(C)C(C)CS2
InChIInChI=1S/C12H17NS/c1-4-10-6-5-7-11-12(10)13(3)9(2)8-14-11/h5-7,9H,4,8H2,1-3H3
InChIKeyYWRBJAJOZPUHNT-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.18
Rot. Bonds1

About 5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine

5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 84620981) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
PubChem CID84620981
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
SMILESCCc1cccc2c1N(C)C(C)CS2
InChIInChI=1S/C12H17NS/c1-4-10-6-5-7-11-12(10)13(3)9(2)8-14-11/h5-7,9H,4,8H2,1-3H3
InChIKeyYWRBJAJOZPUHNT-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine (CID 84620981) is 5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine is CCc1cccc2c1N(C)C(C)CS2.
What is the InChIKey of 5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is YWRBJAJOZPUHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-4-10-6-5-7-11-12(10)13(3)9(2)8-14-11/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine?
5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 207.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 84620981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).