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

C18H19BrN2OS — CID 3699946

IUPAC2-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)CSC1c1cnccc1-c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2OS/c1-12(2)10-21-17(22)11-23-18(21)16-9-20-8-7-15(16)13-3-5-14(19)6-4-13/h3-9,12,18H,10-11H2,1-2H3
InChIKeyRVHDQCOFRZYBFK-UHFFFAOYSA-N
MW391.33 g/mol
LogP4.74
Rot. Bonds4

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

2-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 3699946) has the molecular formula C18H19BrN2OS and a molecular weight of 391.33 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID3699946
Molecular FormulaC18H19BrN2OS
Molecular Weight391.33 g/mol
Exact Mass390.04
IUPAC Name2-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)CSC1c1cnccc1-c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2OS/c1-12(2)10-21-17(22)11-23-18(21)16-9-20-8-7-15(16)13-3-5-14(19)6-4-13/h3-9,12,18H,10-11H2,1-2H3
InChIKeyRVHDQCOFRZYBFK-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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Related Compounds

3-[4-(Tert-butyl)phenyl]-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731891
2-(4-(4-Bromophenyl)pyridin-3-yl)-3-sec-butylthiazolidin-4-one
CID 9800610
2-(4-(4-Ethylphenyl)pyridin-3-yl)-3-isobutylthiazolidin-4-one
CID 10246646
2-(3-(4-Bromophenyl)pyridin-4-yl)-3-isobutylthiazolidin-4-one
CID 10320344
2-(2-(4-Bromophenyl)pyridin-3-yl)-3-isobutylthiazolidin-4-one
CID 10342500
2-(4-(4-Chlorophenyl)pyridin-3-yl)-3-isobutylthiazolidin-4-one
CID 10362524
3-Isobutyl-2-(4-p-tolylpyridin-3-yl)thiazolidin-4-one
CID 10404129
3-Isobutyl-2-(3-(4-vinylphenyl)pyridin-4-yl)thiazolidin-4-one
CID 10404882
3-Isobutyl-2-(4-(4-vinylphenyl)pyridin-3-yl)thiazolidin-4-one
CID 10427267
2-(4-(4-Bromophenyl)pyridin-3-yl)-3-cyclopentylthiazolidin-4-one
CID 10431256
(R)-3-isobutyl-2-(4-p-tolylpyridin-3-yl)thiazolidin-4-one
CID 16659193
2-(3-(4-Chlorophenyl)pyridin-4-yl)-3-isobutylthiazolidin-4-one
CID 44430922

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 3699946) is 2-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is CC(C)CN1C(=O)CSC1c1cnccc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is RVHDQCOFRZYBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2OS/c1-12(2)10-21-17(22)11-23-18(21)16-9-20-8-7-15(16)13-3-5-14(19)6-4-13/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of 2-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
2-[4-(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-[4-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3699946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).