N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride

C20H29Cl2N3OS — CID 67348276

IUPACN-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride
SMILESCCCN1/C(=N/C2CCCCC2)SCC1N(C(C)=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H28ClN3OS.ClH/c1-3-13-23-19(14-26-20(23)22-17-7-5-4-6-8-17)24(15(2)25)18-11-9-16(21)10-12-18;/h9-12,17,19H,3-8,13-14H2,1-2H3;1H/b22-20-;
InChIKeyBLANFFLTPWNTRD-KGYDJYTLSA-N
MW430.45 g/mol
LogP5.59
Rot. Bonds5

About N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride

N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride (PubChem CID 67348276) has the molecular formula C20H29Cl2N3OS and a molecular weight of 430.45 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride
PubChem CID67348276
Molecular FormulaC20H29Cl2N3OS
Molecular Weight430.45 g/mol
Exact Mass429.14
IUPAC NameN-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride
SMILESCCCN1/C(=N/C2CCCCC2)SCC1N(C(C)=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H28ClN3OS.ClH/c1-3-13-23-19(14-26-20(23)22-17-7-5-4-6-8-17)24(15(2)25)18-11-9-16(21)10-12-18;/h9-12,17,19H,3-8,13-14H2,1-2H3;1H/b22-20-;
InChIKeyBLANFFLTPWNTRD-KGYDJYTLSA-N
XLogP5.59
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.45
LogP ≤ 55.59
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-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride (CID 67348276) is N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride is CCCN1/C(=N/C2CCCCC2)SCC1N(C(C)=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride?
The InChIKey is BLANFFLTPWNTRD-KGYDJYTLSA-N. The full InChI is InChI=1S/C20H28ClN3OS.ClH/c1-3-13-23-19(14-26-20(23)22-17-7-5-4-6-8-17)24(15(2)25)18-11-9-16(21)10-12-18;/h9-12,17,19H,3-8,13-14H2,1-2H3;1H/b22-20-;.
What are the key properties of N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride?
N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride has a molecular weight of 430.45 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 67348276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).