(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one

C18H16ClN3O2S — CID 18843355

IUPAC(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C(\C)c2ccc(O)cc2)S/C1=N/c1cccnc1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-3-22-17(24)15(11(2)12-6-8-13(23)9-7-12)25-18(22)21-14-5-4-10-20-16(14)19/h4-10,23H,3H2,1-2H3/b15-11-,21-18+
InChIKeyZRMPTDJHCFPVRQ-ZTFLGGKRSA-N
MW373.87 g/mol
LogP4.45
Rot. Bonds3

About (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one (PubChem CID 18843355) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one
PubChem CID18843355
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C(\C)c2ccc(O)cc2)S/C1=N/c1cccnc1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-3-22-17(24)15(11(2)12-6-8-13(23)9-7-12)25-18(22)21-14-5-4-10-20-16(14)19/h4-10,23H,3H2,1-2H3/b15-11-,21-18+
InChIKeyZRMPTDJHCFPVRQ-ZTFLGGKRSA-N
XLogP4.45
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one (CID 18843355) is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C(\C)c2ccc(O)cc2)S/C1=N/c1cccnc1Cl.
What is the InChIKey of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZRMPTDJHCFPVRQ-ZTFLGGKRSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-3-22-17(24)15(11(2)12-6-8-13(23)9-7-12)25-18(22)21-14-5-4-10-20-16(14)19/h4-10,23H,3H2,1-2H3/b15-11-,21-18+.
What are the key properties of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one?
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one has a molecular weight of 373.87 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).