N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride

C19H28ClN3OS — CID 67348356

IUPACN-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C)cc1)C1C(C)S/C(=N\C2CCCC2)N1C.Cl
InChIInChI=1S/C19H27N3OS.ClH/c1-13-9-11-17(12-10-13)22(15(3)23)18-14(2)24-19(21(18)4)20-16-7-5-6-8-16;/h9-12,14,16,18H,5-8H2,1-4H3;1H/b20-19-;
InChIKeyNKHAEMSVWFKYOB-BLTQDSCZSA-N
MW381.97 g/mol
LogP4.46
Rot. Bonds3

About N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride

N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 67348356) has the molecular formula C19H28ClN3OS and a molecular weight of 381.97 g/mol. Its IUPAC name is N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
PubChem CID67348356
Molecular FormulaC19H28ClN3OS
Molecular Weight381.97 g/mol
Exact Mass381.16
IUPAC NameN-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C)cc1)C1C(C)S/C(=N\C2CCCC2)N1C.Cl
InChIInChI=1S/C19H27N3OS.ClH/c1-13-9-11-17(12-10-13)22(15(3)23)18-14(2)24-19(21(18)4)20-16-7-5-6-8-16;/h9-12,14,16,18H,5-8H2,1-4H3;1H/b20-19-;
InChIKeyNKHAEMSVWFKYOB-BLTQDSCZSA-N
XLogP4.46
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.97
LogP ≤ 54.46
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-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride (CID 67348356) is N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride is CC(=O)N(c1ccc(C)cc1)C1C(C)S/C(=N\C2CCCC2)N1C.Cl.
What is the InChIKey of N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is NKHAEMSVWFKYOB-BLTQDSCZSA-N. The full InChI is InChI=1S/C19H27N3OS.ClH/c1-13-9-11-17(12-10-13)22(15(3)23)18-14(2)24-19(21(18)4)20-16-7-5-6-8-16;/h9-12,14,16,18H,5-8H2,1-4H3;1H/b20-19-;.
What are the key properties of N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 381.97 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 67348356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).