2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid

C12H10N2O2S — CID 10586507

IUPAC2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid
SMILESO=C(O)Cc1cn2c(n1)CSc1ccccc1-2
InChIInChI=1S/C12H10N2O2S/c15-12(16)5-8-6-14-9-3-1-2-4-10(9)17-7-11(14)13-8/h1-4,6H,5,7H2,(H,15,16)
InChIKeyHLLYMRCEIBREHO-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.11
Rot. Bonds2

About 2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid

2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid (PubChem CID 10586507) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid
PubChem CID10586507
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid
SMILESO=C(O)Cc1cn2c(n1)CSc1ccccc1-2
InChIInChI=1S/C12H10N2O2S/c15-12(16)5-8-6-14-9-3-1-2-4-10(9)17-7-11(14)13-8/h1-4,6H,5,7H2,(H,15,16)
InChIKeyHLLYMRCEIBREHO-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid
CID 82295182
2-[4-(2-methylprop-2-enyl)-2,3-dihydro-1,4-benzothiazin-3-yl]acetic acid
CID 82363868
2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82032254
2-[1-(1,3-benzodioxol-5-yl)-2-methylimidazol-4-yl]acetic acid
CID 82301415
2-[1-(2-fluorophenyl)imidazol-4-yl]acetic acid
CID 82472522
2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylamino]acetic acid
CID 43442529
3-[methyl-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propanoic acid
CID 119232485
2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 62798044
bis(ethanethioic S-acid);3-methyl-2H-1,3-benzothiazole
CID 88660587
2-(1,2-dimethylimidazol-4-yl)acetic acid
CID 82279387
1-(1-ethoxyethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
CID 138383716
4-[[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one
CID 42786262

Frequently Asked Questions

What is the IUPAC name of 2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid?
The IUPAC name of 2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid (CID 10586507) is 2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid.
What is the SMILES notation for 2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid?
The canonical SMILES for 2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid is O=C(O)Cc1cn2c(n1)CSc1ccccc1-2.
What is the InChIKey of 2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid?
The InChIKey is HLLYMRCEIBREHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-12(16)5-8-6-14-9-3-1-2-4-10(9)17-7-11(14)13-8/h1-4,6H,5,7H2,(H,15,16).
What are the key properties of 2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid?
2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid has a molecular weight of 246.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid is sourced from PubChem (CID 10586507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).