N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride

C17H24ClN3O2S — CID 67350948

IUPACN-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride
SMILESCCOc1ccc(N(C(C)=O)C2CS/C(=N\C3CC3)N2C)cc1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-4-22-15-9-7-14(8-10-15)20(12(2)21)16-11-23-17(19(16)3)18-13-5-6-13;/h7-10,13,16H,4-6,11H2,1-3H3;1H/b18-17-;
InChIKeyNGNIVQUZJGBFNE-YBFBCAGJSA-N
MW369.92 g/mol
LogP3.38
Rot. Bonds5

About N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride

N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride (PubChem CID 67350948) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride
PubChem CID67350948
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC NameN-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride
SMILESCCOc1ccc(N(C(C)=O)C2CS/C(=N\C3CC3)N2C)cc1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-4-22-15-9-7-14(8-10-15)20(12(2)21)16-11-23-17(19(16)3)18-13-5-6-13;/h7-10,13,16H,4-6,11H2,1-3H3;1H/b18-17-;
InChIKeyNGNIVQUZJGBFNE-YBFBCAGJSA-N
XLogP3.38
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 53.38
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-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride (CID 67350948) is N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride is CCOc1ccc(N(C(C)=O)C2CS/C(=N\C3CC3)N2C)cc1.Cl.
What is the InChIKey of N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride?
The InChIKey is NGNIVQUZJGBFNE-YBFBCAGJSA-N. The full InChI is InChI=1S/C17H23N3O2S.ClH/c1-4-22-15-9-7-14(8-10-15)20(12(2)21)16-11-23-17(19(16)3)18-13-5-6-13;/h7-10,13,16H,4-6,11H2,1-3H3;1H/b18-17-;.
What are the key properties of N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride?
N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 67350948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).