2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid

C10H13NO2S2 — CID 82376584

IUPAC2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid
SMILESCN1CC(C)(C)Sc2cc(C(=O)O)sc21
InChIInChI=1S/C10H13NO2S2/c1-10(2)5-11(3)8-6(15-10)4-7(14-8)9(12)13/h4H,5H2,1-3H3,(H,12,13)
InChIKeyPBYWCDRBSGSNEJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.77
Rot. Bonds1

About 2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid

2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid (PubChem CID 82376584) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid.

Molecular Properties

Compound Name2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid
PubChem CID82376584
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC Name2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid
SMILESCN1CC(C)(C)Sc2cc(C(=O)O)sc21
InChIInChI=1S/C10H13NO2S2/c1-10(2)5-11(3)8-6(15-10)4-7(14-8)9(12)13/h4H,5H2,1-3H3,(H,12,13)
InChIKeyPBYWCDRBSGSNEJ-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid?
The IUPAC name of 2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid (CID 82376584) is 2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid.
What is the SMILES notation for 2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid?
The canonical SMILES for 2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid is CN1CC(C)(C)Sc2cc(C(=O)O)sc21.
What is the InChIKey of 2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid?
The InChIKey is PBYWCDRBSGSNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c1-10(2)5-11(3)8-6(15-10)4-7(14-8)9(12)13/h4H,5H2,1-3H3,(H,12,13).
What are the key properties of 2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid?
2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid has a molecular weight of 243.35 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid is sourced from PubChem (CID 82376584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).