[2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone

C18H18ClN3OS — CID 42936630

IUPAC[2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCCC1CS/C(=N\c2ccc(Cl)cc2)N1C(=O)c1ccc(C)nc1
InChIInChI=1S/C18H18ClN3OS/c1-3-16-11-24-18(21-15-8-6-14(19)7-9-15)22(16)17(23)13-5-4-12(2)20-10-13/h4-10,16H,3,11H2,1-2H3/b21-18-
InChIKeyDXCPRQCZALSZMQ-UZYVYHOESA-N
MW359.88 g/mol
LogP4.70
Rot. Bonds3

About [2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone

[2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 42936630) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is [2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID42936630
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name[2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCCC1CS/C(=N\c2ccc(Cl)cc2)N1C(=O)c1ccc(C)nc1
InChIInChI=1S/C18H18ClN3OS/c1-3-16-11-24-18(21-15-8-6-14(19)7-9-15)22(16)17(23)13-5-4-12(2)20-10-13/h4-10,16H,3,11H2,1-2H3/b21-18-
InChIKeyDXCPRQCZALSZMQ-UZYVYHOESA-N
XLogP4.70
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone (CID 42936630) is [2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone is CCC1CS/C(=N\c2ccc(Cl)cc2)N1C(=O)c1ccc(C)nc1.
What is the InChIKey of [2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is DXCPRQCZALSZMQ-UZYVYHOESA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-3-16-11-24-18(21-15-8-6-14(19)7-9-15)22(16)17(23)13-5-4-12(2)20-10-13/h4-10,16H,3,11H2,1-2H3/b21-18-.
What are the key properties of [2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone?
[2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 359.88 g/mol, XLogP of 4.70, 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-4-ethyl-1,3-thiazolidin-3-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 42936630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).