(5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one

C16H15N3O2S — CID 23723083

IUPAC(5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN(C)N1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccccc1
InChIInChI=1S/C16H15N3O2S/c1-18(2)19-15(20)14(11-13-9-6-10-21-13)22-16(19)17-12-7-4-3-5-8-12/h3-11H,1-2H3/b14-11-,17-16-
InChIKeyAWXLTOYWPDDKPO-SJKKTQPASA-N
MW313.38 g/mol
LogP3.36
Rot. Bonds3

About (5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 23723083) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is (5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID23723083
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name(5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN(C)N1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccccc1
InChIInChI=1S/C16H15N3O2S/c1-18(2)19-15(20)14(11-13-9-6-10-21-13)22-16(19)17-12-7-4-3-5-8-12/h3-11H,1-2H3/b14-11-,17-16-
InChIKeyAWXLTOYWPDDKPO-SJKKTQPASA-N
XLogP3.36
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one (CID 23723083) is (5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one is CN(C)N1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccccc1.
What is the InChIKey of (5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is AWXLTOYWPDDKPO-SJKKTQPASA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-18(2)19-15(20)14(11-13-9-6-10-21-13)22-16(19)17-12-7-4-3-5-8-12/h3-11H,1-2H3/b14-11-,17-16-.
What are the key properties of (5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 313.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(dimethylamino)-5-(furan-2-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 23723083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).