N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride

C21H25Cl2N3O2S — CID 67348132

IUPACN-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(Cl)cc1)C1CS/C(=N\c2cccc(OC(C)C)c2)N1C.Cl
InChIInChI=1S/C21H24ClN3O2S.ClH/c1-14(2)27-19-7-5-6-17(12-19)23-21-24(4)20(13-28-21)25(15(3)26)18-10-8-16(22)9-11-18;/h5-12,14,20H,13H2,1-4H3;1H/b23-21-;
InChIKeyURFDZSJFIVRJPI-VZXGSGAOSA-N
MW454.42 g/mol
LogP5.59
Rot. Bonds5

About N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride

N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride (PubChem CID 67348132) has the molecular formula C21H25Cl2N3O2S and a molecular weight of 454.42 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride
PubChem CID67348132
Molecular FormulaC21H25Cl2N3O2S
Molecular Weight454.42 g/mol
Exact Mass453.10
IUPAC NameN-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(Cl)cc1)C1CS/C(=N\c2cccc(OC(C)C)c2)N1C.Cl
InChIInChI=1S/C21H24ClN3O2S.ClH/c1-14(2)27-19-7-5-6-17(12-19)23-21-24(4)20(13-28-21)25(15(3)26)18-10-8-16(22)9-11-18;/h5-12,14,20H,13H2,1-4H3;1H/b23-21-;
InChIKeyURFDZSJFIVRJPI-VZXGSGAOSA-N
XLogP5.59
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.42
LogP ≤ 55.59
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 N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride (CID 67348132) is N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride is CC(=O)N(c1ccc(Cl)cc1)C1CS/C(=N\c2cccc(OC(C)C)c2)N1C.Cl.
What is the InChIKey of N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride?
The InChIKey is URFDZSJFIVRJPI-VZXGSGAOSA-N. The full InChI is InChI=1S/C21H24ClN3O2S.ClH/c1-14(2)27-19-7-5-6-17(12-19)23-21-24(4)20(13-28-21)25(15(3)26)18-10-8-16(22)9-11-18;/h5-12,14,20H,13H2,1-4H3;1H/b23-21-;.
What are the key properties of N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride?
N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride has a molecular weight of 454.42 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazolidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 67348132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).