5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine

C12H17NOS — CID 105356216

IUPAC5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCCOc1cccc2c1NCC(CC)S2
InChIInChI=1S/C12H17NOS/c1-3-9-8-13-12-10(14-4-2)6-5-7-11(12)15-9/h5-7,9,13H,3-4,8H2,1-2H3
InChIKeyYDUPWZKDHKHVCN-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.38
Rot. Bonds3

About 5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine

5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 105356216) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID105356216
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCCOc1cccc2c1NCC(CC)S2
InChIInChI=1S/C12H17NOS/c1-3-9-8-13-12-10(14-4-2)6-5-7-11(12)15-9/h5-7,9,13H,3-4,8H2,1-2H3
InChIKeyYDUPWZKDHKHVCN-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine
CID 114827427
(3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 99981441
6-ethoxy-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 105356162
9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 83818191
5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline
CID 63386466
4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
CID 113393246
7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84636914
8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 79228546
2,6-diethoxybenzonitrile
CID 3018118
1-tert-butyl-5-ethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64689004
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765
11-chloro-10-ethoxy-6,11-dihydrobenzo[c][1]benzothiepine
CID 167028027

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine (CID 105356216) is 5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine is CCOc1cccc2c1NCC(CC)S2.
What is the InChIKey of 5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is YDUPWZKDHKHVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-9-8-13-12-10(14-4-2)6-5-7-11(12)15-9/h5-7,9,13H,3-4,8H2,1-2H3.
What are the key properties of 5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine?
5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 223.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 105356216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).