[(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone

C18H18ClN3O2S — CID 7916541

IUPAC[(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone
SMILESCCOc1ncccc1C(=O)N1C[C@@H](C)S/C1=N\c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2S/c1-3-24-16-15(5-4-10-20-16)17(23)22-11-12(2)25-18(22)21-14-8-6-13(19)7-9-14/h4-10,12H,3,11H2,1-2H3/b21-18-/t12-/m1/s1
InChIKeyYTCXNCORANURQF-ACHDJDMMSA-N
MW375.88 g/mol
LogP4.40
Rot. Bonds4

About [(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone

[(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone (PubChem CID 7916541) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is [(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone
PubChem CID7916541
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name[(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone
SMILESCCOc1ncccc1C(=O)N1C[C@@H](C)S/C1=N\c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2S/c1-3-24-16-15(5-4-10-20-16)17(23)22-11-12(2)25-18(22)21-14-8-6-13(19)7-9-14/h4-10,12H,3,11H2,1-2H3/b21-18-/t12-/m1/s1
InChIKeyYTCXNCORANURQF-ACHDJDMMSA-N
XLogP4.40
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone?
The IUPAC name of [(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone (CID 7916541) is [(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone?
The canonical SMILES for [(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone is CCOc1ncccc1C(=O)N1C[C@@H](C)S/C1=N\c1ccc(Cl)cc1.
What is the InChIKey of [(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone?
The InChIKey is YTCXNCORANURQF-ACHDJDMMSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-3-24-16-15(5-4-10-20-16)17(23)22-11-12(2)25-18(22)21-14-8-6-13(19)7-9-14/h4-10,12H,3,11H2,1-2H3/b21-18-/t12-/m1/s1.
What are the key properties of [(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone?
[(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone has a molecular weight of 375.88 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-ethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 7916541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).