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

C18H19BrN2OS — CID 10342500

IUPAC2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)CSC1c1cccnc1-c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2OS/c1-12(2)10-21-16(22)11-23-18(21)15-4-3-9-20-17(15)13-5-7-14(19)8-6-13/h3-9,12,18H,10-11H2,1-2H3
InChIKeyDEGFUTRLIMZBDX-UHFFFAOYSA-N
MW391.33 g/mol
LogP4.74
Rot. Bonds4

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

2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 10342500) has the molecular formula C18H19BrN2OS and a molecular weight of 391.33 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID10342500
Molecular FormulaC18H19BrN2OS
Molecular Weight391.33 g/mol
Exact Mass390.04
IUPAC Name2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)CSC1c1cccnc1-c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2OS/c1-12(2)10-21-16(22)11-23-18(21)15-4-3-9-20-17(15)13-5-7-14(19)8-6-13/h3-9,12,18H,10-11H2,1-2H3
InChIKeyDEGFUTRLIMZBDX-UHFFFAOYSA-N
XLogP4.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 10342500) is 2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is CC(C)CN1C(=O)CSC1c1cccnc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is DEGFUTRLIMZBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2OS/c1-12(2)10-21-16(22)11-23-18(21)15-4-3-9-20-17(15)13-5-7-14(19)8-6-13/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of 2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 391.33 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10342500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).