5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol

C12H9N3OS — CID 89012298

IUPAC5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol
SMILESC=Cc1[nH]c2sc(-c3cccnc3)nc2c1O
InChIInChI=1S/C12H9N3OS/c1-2-8-10(16)9-12(14-8)17-11(15-9)7-4-3-5-13-6-7/h2-6,14,16H,1H2
InChIKeyJEIGELFNLXRQJE-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.04
Rot. Bonds2

About 5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol

5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol (PubChem CID 89012298) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol.

Molecular Properties

Compound Name5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol
PubChem CID89012298
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol
SMILESC=Cc1[nH]c2sc(-c3cccnc3)nc2c1O
InChIInChI=1S/C12H9N3OS/c1-2-8-10(16)9-12(14-8)17-11(15-9)7-4-3-5-13-6-7/h2-6,14,16H,1H2
InChIKeyJEIGELFNLXRQJE-UHFFFAOYSA-N
XLogP3.04
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol?
The IUPAC name of 5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol (CID 89012298) is 5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol.
What is the SMILES notation for 5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol?
The canonical SMILES for 5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol is C=Cc1[nH]c2sc(-c3cccnc3)nc2c1O.
What is the InChIKey of 5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol?
The InChIKey is JEIGELFNLXRQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-2-8-10(16)9-12(14-8)17-11(15-9)7-4-3-5-13-6-7/h2-6,14,16H,1H2.
What are the key properties of 5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol?
5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol has a molecular weight of 243.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-pyridin-3-yl-4H-pyrrolo[3,2-d][1,3]thiazol-6-ol is sourced from PubChem (CID 89012298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).