N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride

C17H20ClN3O2S — CID 120567800

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CN1CSCC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19N3O2S.ClH/c18-8-15(19-16(21)9-20-11-23-10-17(20)22)14-6-5-12-3-1-2-4-13(12)7-14;/h1-7,15H,8-11,18H2,(H,19,21);1H
InChIKeyWQSSESKHYOIFQS-UHFFFAOYSA-N
MW365.89 g/mol
LogP1.91
Rot. Bonds5

About N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride (PubChem CID 120567800) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
PubChem CID120567800
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CN1CSCC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19N3O2S.ClH/c18-8-15(19-16(21)9-20-11-23-10-17(20)22)14-6-5-12-3-1-2-4-13(12)7-14;/h1-7,15H,8-11,18H2,(H,19,21);1H
InChIKeyWQSSESKHYOIFQS-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride (CID 120567800) is N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride is Cl.NCC(NC(=O)CN1CSCC1=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
The InChIKey is WQSSESKHYOIFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S.ClH/c18-8-15(19-16(21)9-20-11-23-10-17(20)22)14-6-5-12-3-1-2-4-13(12)7-14;/h1-7,15H,8-11,18H2,(H,19,21);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride has a molecular weight of 365.89 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120567800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).