N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

C19H17ClFN3O2S — CID 1213669

IUPACN-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N/c2ccc(F)cc2)N(C)C1=O
InChIInChI=1S/C19H17ClFN3O2S/c1-11-3-4-12(20)9-15(11)23-17(25)10-16-18(26)24(2)19(27-16)22-14-7-5-13(21)6-8-14/h3-9,16H,10H2,1-2H3,(H,23,25)/b22-19+/t16-/m1/s1
InChIKeySZUHKPSXUYBMID-UFIXSJTLSA-N
MW405.88 g/mol
LogP4.38
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 1213669) has the molecular formula C19H17ClFN3O2S and a molecular weight of 405.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID1213669
Molecular FormulaC19H17ClFN3O2S
Molecular Weight405.88 g/mol
Exact Mass405.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N/c2ccc(F)cc2)N(C)C1=O
InChIInChI=1S/C19H17ClFN3O2S/c1-11-3-4-12(20)9-15(11)23-17(25)10-16-18(26)24(2)19(27-16)22-14-7-5-13(21)6-8-14/h3-9,16H,10H2,1-2H3,(H,23,25)/b22-19+/t16-/m1/s1
InChIKeySZUHKPSXUYBMID-UFIXSJTLSA-N
XLogP4.38
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.38
H-Bond Donors ≤ 51
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 N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 1213669) is N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N/c2ccc(F)cc2)N(C)C1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is SZUHKPSXUYBMID-UFIXSJTLSA-N. The full InChI is InChI=1S/C19H17ClFN3O2S/c1-11-3-4-12(20)9-15(11)23-17(25)10-16-18(26)24(2)19(27-16)22-14-7-5-13(21)6-8-14/h3-9,16H,10H2,1-2H3,(H,23,25)/b22-19+/t16-/m1/s1.
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 405.88 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 1213669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).