2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid

C10H7NO3S3 — CID 1250023

IUPAC2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid
SMILESO=C(O)CN1C(=O)/C(=C/c2ccsc2)SC1=S
InChIInChI=1S/C10H7NO3S3/c12-8(13)4-11-9(14)7(17-10(11)15)3-6-1-2-16-5-6/h1-3,5H,4H2,(H,12,13)/b7-3-
InChIKeyNHEGFDYEVYVPKD-CLTKARDFSA-N
MW285.37 g/mol
LogP2.03
Rot. Bonds3

About 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid

2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid (PubChem CID 1250023) has the molecular formula C10H7NO3S3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid
PubChem CID1250023
Molecular FormulaC10H7NO3S3
Molecular Weight285.37 g/mol
Exact Mass284.96
IUPAC Name2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid
SMILESO=C(O)CN1C(=O)/C(=C/c2ccsc2)SC1=S
InChIInChI=1S/C10H7NO3S3/c12-8(13)4-11-9(14)7(17-10(11)15)3-6-1-2-16-5-6/h1-3,5H,4H2,(H,12,13)/b7-3-
InChIKeyNHEGFDYEVYVPKD-CLTKARDFSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid?
The IUPAC name of 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid (CID 1250023) is 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid is O=C(O)CN1C(=O)/C(=C/c2ccsc2)SC1=S.
What is the InChIKey of 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid?
The InChIKey is NHEGFDYEVYVPKD-CLTKARDFSA-N. The full InChI is InChI=1S/C10H7NO3S3/c12-8(13)4-11-9(14)7(17-10(11)15)3-6-1-2-16-5-6/h1-3,5H,4H2,(H,12,13)/b7-3-.
What are the key properties of 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid?
2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid has a molecular weight of 285.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid is sourced from PubChem (CID 1250023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).