2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one

C14H11BrClNO2S2 — CID 3288406

IUPAC2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccc(Br)s2)cc1Cl
InChIInChI=1S/C14H11BrClNO2S2/c1-19-10-3-2-8(6-9(10)16)17-13(18)7-20-14(17)11-4-5-12(15)21-11/h2-6,14H,7H2,1H3
InChIKeyMYRBVXJUSBOFBC-UHFFFAOYSA-N
MW404.74 g/mol
LogP4.95
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one

2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3288406) has the molecular formula C14H11BrClNO2S2 and a molecular weight of 404.74 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3288406
Molecular FormulaC14H11BrClNO2S2
Molecular Weight404.74 g/mol
Exact Mass402.91
IUPAC Name2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccc(Br)s2)cc1Cl
InChIInChI=1S/C14H11BrClNO2S2/c1-19-10-3-2-8(6-9(10)16)17-13(18)7-20-14(17)11-4-5-12(15)21-11/h2-6,14H,7H2,1H3
InChIKeyMYRBVXJUSBOFBC-UHFFFAOYSA-N
XLogP4.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.74
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 3288406) is 2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2ccc(Br)s2)cc1Cl.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is MYRBVXJUSBOFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2S2/c1-19-10-3-2-8(6-9(10)16)17-13(18)7-20-14(17)11-4-5-12(15)21-11/h2-6,14H,7H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one?
2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 404.74 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3288406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).