3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one

C13H9N3OS2 — CID 4893215

IUPAC3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1N=Cc1cccc2cccnc12
InChIInChI=1S/C13H9N3OS2/c17-11-8-19-13(18)16(11)15-7-10-4-1-3-9-5-2-6-14-12(9)10/h1-7H,8H2
InChIKeyRCPAWBQGFVLLQW-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.43
Rot. Bonds2

About 3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one

3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 4893215) has the molecular formula C13H9N3OS2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID4893215
Molecular FormulaC13H9N3OS2
Molecular Weight287.37 g/mol
Exact Mass287.02
IUPAC Name3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1N=Cc1cccc2cccnc12
InChIInChI=1S/C13H9N3OS2/c17-11-8-19-13(18)16(11)15-7-10-4-1-3-9-5-2-6-14-12(9)10/h1-7H,8H2
InChIKeyRCPAWBQGFVLLQW-UHFFFAOYSA-N
XLogP2.43
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137120233
2-[2-methoxy-6-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenoxy]acetic acid
CID 126356447
3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4704664
3-[(E)-(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5341305
2-sulfanylidene-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one
CID 23848886
N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine
CID 159110850
3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione
CID 135776448
3-[(E)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5349220
3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4198374
3-(1,3-benzodioxol-5-yl)-5-(quinolin-8-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 71965474
methyl 4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]benzoate
CID 6909012
2-[4-oxo-5-(quinolin-8-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 4893950

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 4893215) is 3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1N=Cc1cccc2cccnc12.
What is the InChIKey of 3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RCPAWBQGFVLLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS2/c17-11-8-19-13(18)16(11)15-7-10-4-1-3-9-5-2-6-14-12(9)10/h1-7H,8H2.
What are the key properties of 3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 287.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 4893215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).