2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid

C12H15NO2S — CID 84628911

IUPAC2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid
SMILESCc1cc2c(cc1C)N(CC(=O)O)CCS2
InChIInChI=1S/C12H15NO2S/c1-8-5-10-11(6-9(8)2)16-4-3-13(10)7-12(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyNMAYCRDWUFAULU-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.30
Rot. Bonds2

About 2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid

2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid (PubChem CID 84628911) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid
PubChem CID84628911
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid
SMILESCc1cc2c(cc1C)N(CC(=O)O)CCS2
InChIInChI=1S/C12H15NO2S/c1-8-5-10-11(6-9(8)2)16-4-3-13(10)7-12(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyNMAYCRDWUFAULU-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid
CID 84631047
4-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoic acid
CID 84642598
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8591921
3-(6-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)propanoic acid
CID 84630016
2-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-1-pyrrolidin-1-ylethanone
CID 54904934
2-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-N-(cyanomethyl)acetamide
CID 54905395
5,6-dimethyl-3-prop-2-ynyl-2H-1,3-benzothiazole
CID 22770057
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 83753824
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 22577582
2-(3-oxothiomorpholin-4-yl)acetic acid
CID 13245541
2-[(2Z)-2-[(3-tert-butyl-4-hydroxyphenyl)methylidene]-3-oxothiomorpholin-4-yl]acetic acid
CID 19423065
2-(5,6,7-trimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetic acid
CID 84633203

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid?
The IUPAC name of 2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid (CID 84628911) is 2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid.
What is the SMILES notation for 2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid?
The canonical SMILES for 2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid is Cc1cc2c(cc1C)N(CC(=O)O)CCS2.
What is the InChIKey of 2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid?
The InChIKey is NMAYCRDWUFAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-8-5-10-11(6-9(8)2)16-4-3-13(10)7-12(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid?
2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid has a molecular weight of 237.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid is sourced from PubChem (CID 84628911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).