2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one

C10H12ClNO2S2 — CID 3768895

IUPAC2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)s2)N1CCCO
InChIInChI=1S/C10H12ClNO2S2/c11-8-3-2-7(16-8)10-12(4-1-5-13)9(14)6-15-10/h2-3,10,13H,1,4-6H2
InChIKeyFLAVFQKIAWCVFP-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.36
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one

2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one (PubChem CID 3768895) has the molecular formula C10H12ClNO2S2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one
PubChem CID3768895
Molecular FormulaC10H12ClNO2S2
Molecular Weight277.80 g/mol
Exact Mass277.00
IUPAC Name2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)s2)N1CCCO
InChIInChI=1S/C10H12ClNO2S2/c11-8-3-2-7(16-8)10-12(4-1-5-13)9(14)6-15-10/h2-3,10,13H,1,4-6H2
InChIKeyFLAVFQKIAWCVFP-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one (CID 3768895) is 2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)s2)N1CCCO.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is FLAVFQKIAWCVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S2/c11-8-3-2-7(16-8)10-12(4-1-5-13)9(14)6-15-10/h2-3,10,13H,1,4-6H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one?
2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 277.80 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3768895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).