2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one

C19H19BrN2OS — CID 10431256

IUPAC2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cnccc2-c2ccc(Br)cc2)N1C1CCCC1
InChIInChI=1S/C19H19BrN2OS/c20-14-7-5-13(6-8-14)16-9-10-21-11-17(16)19-22(18(23)12-24-19)15-3-1-2-4-15/h5-11,15,19H,1-4,12H2
InChIKeyODHRXJMXKREBJO-UHFFFAOYSA-N
MW403.35 g/mol
LogP5.03
Rot. Bonds3

About 2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one

2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one (PubChem CID 10431256) has the molecular formula C19H19BrN2OS and a molecular weight of 403.35 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one
PubChem CID10431256
Molecular FormulaC19H19BrN2OS
Molecular Weight403.35 g/mol
Exact Mass402.04
IUPAC Name2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cnccc2-c2ccc(Br)cc2)N1C1CCCC1
InChIInChI=1S/C19H19BrN2OS/c20-14-7-5-13(6-8-14)16-9-10-21-11-17(16)19-22(18(23)12-24-19)15-3-1-2-4-15/h5-11,15,19H,1-4,12H2
InChIKeyODHRXJMXKREBJO-UHFFFAOYSA-N
XLogP5.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.35
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one (CID 10431256) is 2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one is O=C1CSC(c2cnccc2-c2ccc(Br)cc2)N1C1CCCC1.
What is the InChIKey of 2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one?
The InChIKey is ODHRXJMXKREBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2OS/c20-14-7-5-13(6-8-14)16-9-10-21-11-17(16)19-22(18(23)12-24-19)15-3-1-2-4-15/h5-11,15,19H,1-4,12H2.
What are the key properties of 2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one?
2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one has a molecular weight of 403.35 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-3-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10431256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).