(E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one

C10H10BrNO3S2 — CID 102602991

IUPAC(E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cc(Br)cs1)N1CCCS1(=O)=O
InChIInChI=1S/C10H10BrNO3S2/c11-8-6-9(16-7-8)2-3-10(13)12-4-1-5-17(12,14)15/h2-3,6-7H,1,4-5H2/b3-2+
InChIKeyGDDGZEDOOLNUIA-NSCUHMNNSA-N
MW336.23 g/mol
LogP2.09
Rot. Bonds2

About (E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one

(E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one (PubChem CID 102602991) has the molecular formula C10H10BrNO3S2 and a molecular weight of 336.23 g/mol. Its IUPAC name is (E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one
PubChem CID102602991
Molecular FormulaC10H10BrNO3S2
Molecular Weight336.23 g/mol
Exact Mass334.93
IUPAC Name(E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cc(Br)cs1)N1CCCS1(=O)=O
InChIInChI=1S/C10H10BrNO3S2/c11-8-6-9(16-7-8)2-3-10(13)12-4-1-5-17(12,14)15/h2-3,6-7H,1,4-5H2/b3-2+
InChIKeyGDDGZEDOOLNUIA-NSCUHMNNSA-N
XLogP2.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one (CID 102602991) is (E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one is O=C(/C=C/c1cc(Br)cs1)N1CCCS1(=O)=O.
What is the InChIKey of (E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one?
The InChIKey is GDDGZEDOOLNUIA-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10BrNO3S2/c11-8-6-9(16-7-8)2-3-10(13)12-4-1-5-17(12,14)15/h2-3,6-7H,1,4-5H2/b3-2+.
What are the key properties of (E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one?
(E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one has a molecular weight of 336.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromothiophen-2-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 102602991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).