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

C16H15N3O2S — CID 93211194

IUPAC2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
SMILESO=C(O)Cc1c(-c2cccnc2)nc2sc3c(n12)CCCC3
InChIInChI=1S/C16H15N3O2S/c20-14(21)8-12-15(10-4-3-7-17-9-10)18-16-19(12)11-5-1-2-6-13(11)22-16/h3-4,7,9H,1-2,5-6,8H2,(H,20,21)
InChIKeyCSCUYJNJNNBSLR-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.96
Rot. Bonds3

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

2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid (PubChem CID 93211194) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
PubChem CID93211194
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
SMILESO=C(O)Cc1c(-c2cccnc2)nc2sc3c(n12)CCCC3
InChIInChI=1S/C16H15N3O2S/c20-14(21)8-12-15(10-4-3-7-17-9-10)18-16-19(12)11-5-1-2-6-13(11)22-16/h3-4,7,9H,1-2,5-6,8H2,(H,20,21)
InChIKeyCSCUYJNJNNBSLR-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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Related Compounds

2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211188
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
phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone
CID 5179041
10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086528
[2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
CID 39197108
10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 10829218
2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424
2-[6-(furan-2-yl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062379
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069331
2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 131870101

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid?
The IUPAC name of 2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid (CID 93211194) is 2-(2-pyridin-3-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-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid is O=C(O)Cc1c(-c2cccnc2)nc2sc3c(n12)CCCC3.
What is the InChIKey of 2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid?
The InChIKey is CSCUYJNJNNBSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-14(21)8-12-15(10-4-3-7-17-9-10)18-16-19(12)11-5-1-2-6-13(11)22-16/h3-4,7,9H,1-2,5-6,8H2,(H,20,21).
What are the key properties of 2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid?
2-(2-pyridin-3-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-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid is sourced from PubChem (CID 93211194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).