(5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one

C13H7N5OS2 — CID 127053225

IUPAC(5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cc2ccccc2n2nnnc12
InChIInChI=1S/C13H7N5OS2/c19-12-10(21-13(20)14-12)6-8-5-7-3-1-2-4-9(7)18-11(8)15-16-17-18/h1-6H,(H,14,19,20)/b10-6-
InChIKeyVSRZJNFHQRJLPJ-POHAHGRESA-N
MW313.37 g/mol
LogP1.77
Rot. Bonds1

About (5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 127053225) has the molecular formula C13H7N5OS2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID127053225
Molecular FormulaC13H7N5OS2
Molecular Weight313.37 g/mol
Exact Mass313.01
IUPAC Name(5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cc2ccccc2n2nnnc12
InChIInChI=1S/C13H7N5OS2/c19-12-10(21-13(20)14-12)6-8-5-7-3-1-2-4-9(7)18-11(8)15-16-17-18/h1-6H,(H,14,19,20)/b10-6-
InChIKeyVSRZJNFHQRJLPJ-POHAHGRESA-N
XLogP1.77
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one (CID 127053225) is (5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1cc2ccccc2n2nnnc12.
What is the InChIKey of (5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is VSRZJNFHQRJLPJ-POHAHGRESA-N. The full InChI is InChI=1S/C13H7N5OS2/c19-12-10(21-13(20)14-12)6-8-5-7-3-1-2-4-9(7)18-11(8)15-16-17-18/h1-6H,(H,14,19,20)/b10-6-.
What are the key properties of (5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 313.37 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-sulfanylidene-5-(tetrazolo[1,5-a]quinolin-4-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 127053225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).