7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol

C17H13BrN2OS — CID 163303372

IUPAC7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESOC1(c2cccc(-c3nc(Br)cs3)c2)CCc2cccnc21
InChIInChI=1S/C17H13BrN2OS/c18-14-10-22-16(20-14)12-3-1-5-13(9-12)17(21)7-6-11-4-2-8-19-15(11)17/h1-5,8-10,21H,6-7H2
InChIKeyLGDKUGUVQVRSQF-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.15
Rot. Bonds2

About 7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol

7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol (PubChem CID 163303372) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is 7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
PubChem CID163303372
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC Name7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESOC1(c2cccc(-c3nc(Br)cs3)c2)CCc2cccnc21
InChIInChI=1S/C17H13BrN2OS/c18-14-10-22-16(20-14)12-3-1-5-13(9-12)17(21)7-6-11-4-2-8-19-15(11)17/h1-5,8-10,21H,6-7H2
InChIKeyLGDKUGUVQVRSQF-UHFFFAOYSA-N
XLogP4.15
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The IUPAC name of 7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol (CID 163303372) is 7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol.
What is the SMILES notation for 7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The canonical SMILES for 7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol is OC1(c2cccc(-c3nc(Br)cs3)c2)CCc2cccnc21.
What is the InChIKey of 7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The InChIKey is LGDKUGUVQVRSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c18-14-10-22-16(20-14)12-3-1-5-13(9-12)17(21)7-6-11-4-2-8-19-15(11)17/h1-5,8-10,21H,6-7H2.
What are the key properties of 7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol has a molecular weight of 373.28 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-bromo-1,3-thiazol-2-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 163303372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).