(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one

C19H17ClN2O3S — CID 162658338

IUPAC(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\[C@H]2CCC[C@@H]2O)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C19H17ClN2O3S/c20-12-4-1-3-11(9-12)16-8-7-13(25-16)10-17-18(24)22-19(26-17)21-14-5-2-6-15(14)23/h1,3-4,7-10,14-15,23H,2,5-6H2,(H,21,22,24)/b17-10-/t14-,15-/m0/s1
InChIKeyKORLHUPICCNRMF-MFUVWIPLSA-N
MW388.88 g/mol
LogP4.07
Rot. Bonds3

About (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one (PubChem CID 162658338) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one
PubChem CID162658338
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\[C@H]2CCC[C@@H]2O)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C19H17ClN2O3S/c20-12-4-1-3-11(9-12)16-8-7-13(25-16)10-17-18(24)22-19(26-17)21-14-5-2-6-15(14)23/h1,3-4,7-10,14-15,23H,2,5-6H2,(H,21,22,24)/b17-10-/t14-,15-/m0/s1
InChIKeyKORLHUPICCNRMF-MFUVWIPLSA-N
XLogP4.07
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.07
H-Bond Donors ≤ 52
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)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one (CID 162658338) is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one is O=C1N/C(=N\[C@H]2CCC[C@@H]2O)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one?
The InChIKey is KORLHUPICCNRMF-MFUVWIPLSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c20-12-4-1-3-11(9-12)16-8-7-13(25-16)10-17-18(24)22-19(26-17)21-14-5-2-6-15(14)23/h1,3-4,7-10,14-15,23H,2,5-6H2,(H,21,22,24)/b17-10-/t14-,15-/m0/s1.
What are the key properties of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one has a molecular weight of 388.88 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 162658338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).