2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid

C13H12N2O2S2 — CID 113390777

IUPAC2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Sc2ccc3c(n2)CCC3)n1
InChIInChI=1S/C13H12N2O2S2/c16-12(17)6-9-7-18-13(14-9)19-11-5-4-8-2-1-3-10(8)15-11/h4-5,7H,1-3,6H2,(H,16,17)
InChIKeyAUZPSARPOGLZOZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.81
Rot. Bonds4

About 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 113390777) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID113390777
Molecular FormulaC13H12N2O2S2
Molecular Weight292.38 g/mol
Exact Mass292.03
IUPAC Name2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Sc2ccc3c(n2)CCC3)n1
InChIInChI=1S/C13H12N2O2S2/c16-12(17)6-9-7-18-13(14-9)19-11-5-4-8-2-1-3-10(8)15-11/h4-5,7H,1-3,6H2,(H,16,17)
InChIKeyAUZPSARPOGLZOZ-UHFFFAOYSA-N
XLogP2.81
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 64589357
2-[2-[(6-oxo-1H-pyrimidin-4-yl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 114574041
2-[2-[(6-propanoyl-3-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 115938820
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181
2-[2-[(4-cyano-6-methyl-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 114768274
2-(2-cyclohex-2-en-1-ylsulfanyl-1,3-thiazol-4-yl)acetic acid
CID 114619590
2-[2-(2-ethyl-2-hydroxybutyl)sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 114491433
2-[2-(furan-3-ylmethylsulfanyl)-1,3-thiazol-4-yl]acetic acid
CID 83171581
(2R)-2-acetamido-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)propanoic acid
CID 114000104
2-[2-(2-hydroxy-2,3-dimethylbutyl)sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 114491432
2-[2-[(6-chloro-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 79240903
2-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 60708925

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid (CID 113390777) is 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Sc2ccc3c(n2)CCC3)n1.
What is the InChIKey of 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is AUZPSARPOGLZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c16-12(17)6-9-7-18-13(14-9)19-11-5-4-8-2-1-3-10(8)15-11/h4-5,7H,1-3,6H2,(H,16,17).
What are the key properties of 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 113390777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).