(5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one

C20H15N3O2S — CID 137165846

IUPAC(5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Nc3ccccc3)cc2)S/C1=C\c1ccco1
InChIInChI=1S/C20H15N3O2S/c24-19-18(13-17-7-4-12-25-17)26-20(23-19)22-16-10-8-15(9-11-16)21-14-5-2-1-3-6-14/h1-13,21H,(H,22,23,24)/b18-13-
InChIKeyWRLOQYFECIUZIT-AQTBWJFISA-N
MW361.43 g/mol
LogP4.91
Rot. Bonds4

About (5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 137165846) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is (5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID137165846
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name(5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Nc3ccccc3)cc2)S/C1=C\c1ccco1
InChIInChI=1S/C20H15N3O2S/c24-19-18(13-17-7-4-12-25-17)26-20(23-19)22-16-10-8-15(9-11-16)21-14-5-2-1-3-6-14/h1-13,21H,(H,22,23,24)/b18-13-
InChIKeyWRLOQYFECIUZIT-AQTBWJFISA-N
XLogP4.91
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one
CID 137165844
3-[[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135935100
(5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137165829
N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 136884250
(5Z)-5-(furan-2-ylmethylidene)-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one
CID 137004547
2-[[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
CID 135935059
(5Z)-2-(4-ethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 136706933
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135467630
5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135523586
(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063495
(2S)-2-cyclohexyl-2-[[(5E)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid
CID 135748434
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 137165846) is (5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(Nc3ccccc3)cc2)S/C1=C\c1ccco1.
What is the InChIKey of (5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is WRLOQYFECIUZIT-AQTBWJFISA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-19-18(13-17-7-4-12-25-17)26-20(23-19)22-16-10-8-15(9-11-16)21-14-5-2-1-3-6-14/h1-13,21H,(H,22,23,24)/b18-13-.
What are the key properties of (5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 361.43 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 137165846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).