N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

C17H22BrN3OS — CID 67350350

IUPACN-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCC(=O)N(c1ccc(Br)cc1)C1CS/C(=N\C2CCCC2)N1C
InChIInChI=1S/C17H22BrN3OS/c1-12(22)21(15-9-7-13(18)8-10-15)16-11-23-17(20(16)2)19-14-5-3-4-6-14/h7-10,14,16H,3-6,11H2,1-2H3/b19-17-
InChIKeyXPEQGDKSMSXUBZ-ZPHPHTNESA-N
MW396.35 g/mol
LogP4.11
Rot. Bonds3

About N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (PubChem CID 67350350) has the molecular formula C17H22BrN3OS and a molecular weight of 396.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
PubChem CID67350350
Molecular FormulaC17H22BrN3OS
Molecular Weight396.35 g/mol
Exact Mass395.07
IUPAC NameN-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCC(=O)N(c1ccc(Br)cc1)C1CS/C(=N\C2CCCC2)N1C
InChIInChI=1S/C17H22BrN3OS/c1-12(22)21(15-9-7-13(18)8-10-15)16-11-23-17(20(16)2)19-14-5-3-4-6-14/h7-10,14,16H,3-6,11H2,1-2H3/b19-17-
InChIKeyXPEQGDKSMSXUBZ-ZPHPHTNESA-N
XLogP4.11
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
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 N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (CID 67350350) is N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is CC(=O)N(c1ccc(Br)cc1)C1CS/C(=N\C2CCCC2)N1C.
What is the InChIKey of N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The InChIKey is XPEQGDKSMSXUBZ-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H22BrN3OS/c1-12(22)21(15-9-7-13(18)8-10-15)16-11-23-17(20(16)2)19-14-5-3-4-6-14/h7-10,14,16H,3-6,11H2,1-2H3/b19-17-.
What are the key properties of N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide has a molecular weight of 396.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is sourced from PubChem (CID 67350350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).