(2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate

C16H17NO2S — CID 78760120

IUPAC(2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate
SMILESO=C(OCc1cnc(-c2ccccc2)s1)C1CCCC1
InChIInChI=1S/C16H17NO2S/c18-16(13-8-4-5-9-13)19-11-14-10-17-15(20-14)12-6-2-1-3-7-12/h1-3,6-7,10,13H,4-5,8-9,11H2
InChIKeyDSEFOVJEQVRNQK-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.04
Rot. Bonds4

About (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate

(2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate (PubChem CID 78760120) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate
PubChem CID78760120
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate
SMILESO=C(OCc1cnc(-c2ccccc2)s1)C1CCCC1
InChIInChI=1S/C16H17NO2S/c18-16(13-8-4-5-9-13)19-11-14-10-17-15(20-14)12-6-2-1-3-7-12/h1-3,6-7,10,13H,4-5,8-9,11H2
InChIKeyDSEFOVJEQVRNQK-UHFFFAOYSA-N
XLogP4.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate (CID 78760120) is (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate is O=C(OCc1cnc(-c2ccccc2)s1)C1CCCC1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate?
The InChIKey is DSEFOVJEQVRNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(13-8-4-5-9-13)19-11-14-10-17-15(20-14)12-6-2-1-3-7-12/h1-3,6-7,10,13H,4-5,8-9,11H2.
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate?
(2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate has a molecular weight of 287.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate is sourced from PubChem (CID 78760120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).