2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one

C12H14BrNOS — CID 4999449

IUPAC2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)N1C(=O)CSC1c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNOS/c1-8(2)14-11(15)7-16-12(14)9-3-5-10(13)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyAQHDKEWXJWMWDC-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.43
Rot. Bonds2

About 2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one

2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 4999449) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID4999449
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)N1C(=O)CSC1c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNOS/c1-8(2)14-11(15)7-16-12(14)9-3-5-10(13)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyAQHDKEWXJWMWDC-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 5234907
2-(4-Bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861589
2-(3-Bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 49860518
2,2-Dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 155524881
2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 848427
2-(4-Bromophenyl)-2-methyl-1,3-thiazolidin-4-one
CID 536046
3-Cyclopropyl-2-phenyl-1,3-thiazolidin-4-one
CID 16044736
2-[(4-bromobenzyl)thio]-N-(1-phenylethyl)acetamide
CID 2967445
(4S)-2-(4-bromophenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide
CID 44399843
1-(2-Phenyl-1,3-thiazolidin-3-yl)ethan-1-one
CID 3050895
3-[3-(Dimethylamino)propyl]-2-phenyl-1,3-thiazolidin-4-one
CID 126624
3-Benzyl-5-(4-bromobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1565768

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one (CID 4999449) is 2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one is CC(C)N1C(=O)CSC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is AQHDKEWXJWMWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-8(2)14-11(15)7-16-12(14)9-3-5-10(13)6-4-9/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one?
2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 300.22 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 4999449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).