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

C17H13ClFN3OS — CID 18843251

IUPAC(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESC/C(=C1/S/C(=N/c2cccnc2Cl)N(C)C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3OS/c1-10(11-5-7-12(19)8-6-11)14-16(23)22(2)17(24-14)21-13-4-3-9-20-15(13)18/h3-9H,1-2H3/b14-10-,21-17+
InChIKeyCKBWTCZJWCQUDW-JIXLSXQHSA-N
MW361.83 g/mol
LogP4.50
Rot. Bonds2

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

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 18843251) has the molecular formula C17H13ClFN3OS and a molecular weight of 361.83 g/mol. Its IUPAC name is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID18843251
Molecular FormulaC17H13ClFN3OS
Molecular Weight361.83 g/mol
Exact Mass361.05
IUPAC Name(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESC/C(=C1/S/C(=N/c2cccnc2Cl)N(C)C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3OS/c1-10(11-5-7-12(19)8-6-11)14-16(23)22(2)17(24-14)21-13-4-3-9-20-15(13)18/h3-9H,1-2H3/b14-10-,21-17+
InChIKeyCKBWTCZJWCQUDW-JIXLSXQHSA-N
XLogP4.50
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

CID 2731366
CID 2731366
CID 6364736
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CID 135493319
CID 135493319
CID 135506644
CID 135506644
CID 135547125
CID 135547125
CID 118010226
CID 118010226
CID 2731885
CID 2731885
CID 5455880
CID 5455880
CID 6342914
CID 6342914
CID 134148432
CID 134148432
CID 134148566
CID 134148566
CID 134148651
CID 134148651

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one (CID 18843251) is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one is C/C(=C1/S/C(=N/c2cccnc2Cl)N(C)C1=O)c1ccc(F)cc1.
What is the InChIKey of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is CKBWTCZJWCQUDW-JIXLSXQHSA-N. The full InChI is InChI=1S/C17H13ClFN3OS/c1-10(11-5-7-12(19)8-6-11)14-16(23)22(2)17(24-14)21-13-4-3-9-20-15(13)18/h3-9H,1-2H3/b14-10-,21-17+.
What are the key properties of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one?
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 361.83 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).