2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

C14H11ClN2O2S — CID 557423

IUPAC2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(Cl)cc2)N1Cc1ccco1
InChIInChI=1S/C14H11ClN2O2S/c15-10-3-5-11(6-4-10)16-14-17(13(18)9-20-14)8-12-2-1-7-19-12/h1-7H,8-9H2/b16-14-
InChIKeyZVPBSQJAXFCKGQ-PEZBUJJGSA-N
MW306.77 g/mol
LogP3.70
Rot. Bonds3

About 2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 557423) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID557423
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(Cl)cc2)N1Cc1ccco1
InChIInChI=1S/C14H11ClN2O2S/c15-10-3-5-11(6-4-10)16-14-17(13(18)9-20-14)8-12-2-1-7-19-12/h1-7H,8-9H2/b16-14-
InChIKeyZVPBSQJAXFCKGQ-PEZBUJJGSA-N
XLogP3.70
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-furamide
CID 1379493
3-(2-Furylmethyl)-2-[(2-methoxyphenyl)imino]-1,3-thiazolan-4-one
CID 327073
(Z)-N-(4-oxo-3-phenylthiazolidin-2-ylidene)furan-2-carboxamide
CID 1379458
Methyl 2-(4-fluorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazine-6-carboxylate
CID 1518867
methyl (2Z)-2-[(3-chloro-4-fluorophenyl)imino]-3-(furan-2-ylmethyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
CID 1518980
N-(3-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4639003
N-(2-chlorophenyl)-2-{[4-(2-furylmethyl)-5-hydroxy-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 2814819
(5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 118548275
3-(Furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 1275977
Furan-2-yl-(2-phenylimino-1,3-thiazinan-3-yl)methanone
CID 2109139
(2Z,5Z)-5-(3-chlorobenzylidene)-3-(furan-2-ylmethyl)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 6504855
CID 16196056
CID 16196056

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 557423) is 2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccc(Cl)cc2)N1Cc1ccco1.
What is the InChIKey of 2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is ZVPBSQJAXFCKGQ-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-10-3-5-11(6-4-10)16-14-17(13(18)9-20-14)8-12-2-1-7-19-12/h1-7H,8-9H2/b16-14-.
What are the key properties of 2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 306.77 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 557423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).