3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid

C16H17NO3S — CID 19611539

IUPAC3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(OCc2nc(C3CCCC3)cs2)c1
InChIInChI=1S/C16H17NO3S/c18-16(19)12-6-3-7-13(8-12)20-9-15-17-14(10-21-15)11-4-1-2-5-11/h3,6-8,10-11H,1-2,4-5,9H2,(H,18,19)
InChIKeyFWELSAAAXVBUKX-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.08
Rot. Bonds5

About 3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid

3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid (PubChem CID 19611539) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid
PubChem CID19611539
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(OCc2nc(C3CCCC3)cs2)c1
InChIInChI=1S/C16H17NO3S/c18-16(19)12-6-3-7-13(8-12)20-9-15-17-14(10-21-15)11-4-1-2-5-11/h3,6-8,10-11H,1-2,4-5,9H2,(H,18,19)
InChIKeyFWELSAAAXVBUKX-UHFFFAOYSA-N
XLogP4.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid?
The IUPAC name of 3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid (CID 19611539) is 3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid?
The canonical SMILES for 3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid is O=C(O)c1cccc(OCc2nc(C3CCCC3)cs2)c1.
What is the InChIKey of 3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid?
The InChIKey is FWELSAAAXVBUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(19)12-6-3-7-13(8-12)20-9-15-17-14(10-21-15)11-4-1-2-5-11/h3,6-8,10-11H,1-2,4-5,9H2,(H,18,19).
What are the key properties of 3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid?
3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid has a molecular weight of 303.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopentyl-1,3-thiazol-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 19611539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).