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

C16H15N3O2S — CID 93211196

IUPAC2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccn2)nc2sc3c(n12)CCCC3
InChIInChI=1S/C16H15N3O2S/c20-14(21)9-12-15(10-5-3-4-8-17-10)18-16-19(12)11-6-1-2-7-13(11)22-16/h3-5,8H,1-2,6-7,9H2,(H,20,21)
InChIKeyLGTUXYVADBFAHA-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.96
Rot. Bonds3

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

2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid (PubChem CID 93211196) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
PubChem CID93211196
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccn2)nc2sc3c(n12)CCCC3
InChIInChI=1S/C16H15N3O2S/c20-14(21)9-12-15(10-5-3-4-8-17-10)18-16-19(12)11-6-1-2-7-13(11)22-16/h3-5,8H,1-2,6-7,9H2,(H,20,21)
InChIKeyLGTUXYVADBFAHA-UHFFFAOYSA-N
XLogP2.96
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid?
The IUPAC name of 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid (CID 93211196) is 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid is O=C(O)Cc1c(-c2ccccn2)nc2sc3c(n12)CCCC3.
What is the InChIKey of 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid?
The InChIKey is LGTUXYVADBFAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-14(21)9-12-15(10-5-3-4-8-17-10)18-16-19(12)11-6-1-2-7-13(11)22-16/h3-5,8H,1-2,6-7,9H2,(H,20,21).
What are the key properties of 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid?
2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid has a molecular weight of 313.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid is sourced from PubChem (CID 93211196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).