2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid

C16H15NO2S — CID 167745753

IUPAC2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(/C=C/c2nc3c(s2)CCC3)cc1
InChIInChI=1S/C16H15NO2S/c18-16(19)10-12-6-4-11(5-7-12)8-9-15-17-13-2-1-3-14(13)20-15/h4-9H,1-3,10H2,(H,18,19)/b9-8+
InChIKeyYHXIYLLOOCNMAW-CMDGGOBGSA-N
MW285.37 g/mol
LogP3.43
Rot. Bonds4

About 2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid

2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid (PubChem CID 167745753) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid
PubChem CID167745753
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(/C=C/c2nc3c(s2)CCC3)cc1
InChIInChI=1S/C16H15NO2S/c18-16(19)10-12-6-4-11(5-7-12)8-9-15-17-13-2-1-3-14(13)20-15/h4-9H,1-3,10H2,(H,18,19)/b9-8+
InChIKeyYHXIYLLOOCNMAW-CMDGGOBGSA-N
XLogP3.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid (CID 167745753) is 2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid is O=C(O)Cc1ccc(/C=C/c2nc3c(s2)CCC3)cc1.
What is the InChIKey of 2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid?
The InChIKey is YHXIYLLOOCNMAW-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-16(19)10-12-6-4-11(5-7-12)8-9-15-17-13-2-1-3-14(13)20-15/h4-9H,1-3,10H2,(H,18,19)/b9-8+.
What are the key properties of 2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid?
2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid has a molecular weight of 285.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid is sourced from PubChem (CID 167745753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).