2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one

C16H16BrNO3S2 — CID 3792645

IUPAC2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(CCN2C(=O)CSC2c2ccc(Br)s2)ccc1O
InChIInChI=1S/C16H16BrNO3S2/c1-21-12-8-10(2-3-11(12)19)6-7-18-15(20)9-22-16(18)13-4-5-14(17)23-13/h2-5,8,16,19H,6-7,9H2,1H3
InChIKeyCQHNMGNSJRLPIG-UHFFFAOYSA-N
MW414.35 g/mol
LogP4.04
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one

2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 3792645) has the molecular formula C16H16BrNO3S2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID3792645
Molecular FormulaC16H16BrNO3S2
Molecular Weight414.35 g/mol
Exact Mass412.98
IUPAC Name2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(CCN2C(=O)CSC2c2ccc(Br)s2)ccc1O
InChIInChI=1S/C16H16BrNO3S2/c1-21-12-8-10(2-3-11(12)19)6-7-18-15(20)9-22-16(18)13-4-5-14(17)23-13/h2-5,8,16,19H,6-7,9H2,1H3
InChIKeyCQHNMGNSJRLPIG-UHFFFAOYSA-N
XLogP4.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3873599
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 4586715
2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 3820652
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)-1,3-thiazolidin-4-one
CID 3679555
2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 3682766
2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3773919
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3494634
2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one
CID 4986454
2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3288406
2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 5191424
2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3836410

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one (CID 3792645) is 2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one is COc1cc(CCN2C(=O)CSC2c2ccc(Br)s2)ccc1O.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is CQHNMGNSJRLPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S2/c1-21-12-8-10(2-3-11(12)19)6-7-18-15(20)9-22-16(18)13-4-5-14(17)23-13/h2-5,8,16,19H,6-7,9H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 414.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3792645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).