2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide

C17H16ClN3OS — CID 917438

IUPAC2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCS/C1=N\Cc1ccccc1
InChIInChI=1S/C17H16ClN3OS/c18-14-6-8-15(9-7-14)20-16(22)21-10-11-23-17(21)19-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,22)/b19-17-
InChIKeyMBVCJULKOWLBAG-ZPHPHTNESA-N
MW345.86 g/mol
LogP4.48
Rot. Bonds3

About 2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide

2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 917438) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID917438
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCS/C1=N\Cc1ccccc1
InChIInChI=1S/C17H16ClN3OS/c18-14-6-8-15(9-7-14)20-16(22)21-10-11-23-17(21)19-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,22)/b19-17-
InChIKeyMBVCJULKOWLBAG-ZPHPHTNESA-N
XLogP4.48
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide (CID 917438) is 2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCS/C1=N\Cc1ccccc1.
What is the InChIKey of 2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is MBVCJULKOWLBAG-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H16ClN3OS/c18-14-6-8-15(9-7-14)20-16(22)21-10-11-23-17(21)19-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,22)/b19-17-.
What are the key properties of 2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide?
2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 345.86 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 917438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).