N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride

C18H25ClFN3OS — CID 67349516

IUPACN-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C)cc1F)C1CS/C(=N\C2CCCC2)N1C.Cl
InChIInChI=1S/C18H24FN3OS.ClH/c1-12-8-9-16(15(19)10-12)22(13(2)23)17-11-24-18(21(17)3)20-14-6-4-5-7-14;/h8-10,14,17H,4-7,11H2,1-3H3;1H/b20-18-;
InChIKeyBUQUXRQBFADEIG-GQQUDWLYSA-N
MW385.94 g/mol
LogP4.21
Rot. Bonds3

About N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride

N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride (PubChem CID 67349516) has the molecular formula C18H25ClFN3OS and a molecular weight of 385.94 g/mol. Its IUPAC name is N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
PubChem CID67349516
Molecular FormulaC18H25ClFN3OS
Molecular Weight385.94 g/mol
Exact Mass385.14
IUPAC NameN-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C)cc1F)C1CS/C(=N\C2CCCC2)N1C.Cl
InChIInChI=1S/C18H24FN3OS.ClH/c1-12-8-9-16(15(19)10-12)22(13(2)23)17-11-24-18(21(17)3)20-14-6-4-5-7-14;/h8-10,14,17H,4-7,11H2,1-3H3;1H/b20-18-;
InChIKeyBUQUXRQBFADEIG-GQQUDWLYSA-N
XLogP4.21
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.21
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-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride (CID 67349516) is N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride is CC(=O)N(c1ccc(C)cc1F)C1CS/C(=N\C2CCCC2)N1C.Cl.
What is the InChIKey of N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride?
The InChIKey is BUQUXRQBFADEIG-GQQUDWLYSA-N. The full InChI is InChI=1S/C18H24FN3OS.ClH/c1-12-8-9-16(15(19)10-12)22(13(2)23)17-11-24-18(21(17)3)20-14-6-4-5-7-14;/h8-10,14,17H,4-7,11H2,1-3H3;1H/b20-18-;.
What are the key properties of N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride?
N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 67349516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).