2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid

C17H16N2O2S — CID 93211188

IUPAC2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)nc2sc3c(n12)CCCC3
InChIInChI=1S/C17H16N2O2S/c20-15(21)10-13-16(11-6-2-1-3-7-11)18-17-19(13)12-8-4-5-9-14(12)22-17/h1-3,6-7H,4-5,8-10H2,(H,20,21)
InChIKeyUVVOEUYJKJMLAD-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.57
Rot. Bonds3

About 2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid

2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid (PubChem CID 93211188) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
PubChem CID93211188
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)nc2sc3c(n12)CCCC3
InChIInChI=1S/C17H16N2O2S/c20-15(21)10-13-16(11-6-2-1-3-7-11)18-17-19(13)12-8-4-5-9-14(12)22-17/h1-3,6-7H,4-5,8-10H2,(H,20,21)
InChIKeyUVVOEUYJKJMLAD-UHFFFAOYSA-N
XLogP3.57
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211194
2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211196
phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone
CID 5179041
10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 10829218
[2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
CID 39197108
[2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
CID 39197114
2-(10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine
CID 82062759
N-[(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide
CID 67624379
2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83092009
1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboximidoyl)piperidine-3-carboxamide
CID 173309775
1-benzyl-N-[(E)-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]piperidine-3-carboxamide
CID 15858796
(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2,2-diphenylacetate
CID 20946545

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid?
The IUPAC name of 2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid (CID 93211188) is 2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid is O=C(O)Cc1c(-c2ccccc2)nc2sc3c(n12)CCCC3.
What is the InChIKey of 2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid?
The InChIKey is UVVOEUYJKJMLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-15(21)10-13-16(11-6-2-1-3-7-11)18-17-19(13)12-8-4-5-9-14(12)22-17/h1-3,6-7H,4-5,8-10H2,(H,20,21).
What are the key properties of 2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid?
2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid has a molecular weight of 312.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid is sourced from PubChem (CID 93211188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).