N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride

C18H18ClN3OS — CID 6602891

IUPACN-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C18H17N3OS.ClH/c19-18-21(10-11-23-18)13-17(22)20-16-9-5-4-8-15(16)12-14-6-2-1-3-7-14;/h1-11,19H,12-13H2,(H,20,22);1H/b19-18-;
InChIKeyJRXBYNKHAMMAJU-TVWXOORISA-N
MW359.88 g/mol
LogP3.68
Rot. Bonds5

About N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride

N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride (PubChem CID 6602891) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
PubChem CID6602891
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC NameN-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C18H17N3OS.ClH/c19-18-21(10-11-23-18)13-17(22)20-16-9-5-4-8-15(16)12-14-6-2-1-3-7-14;/h1-11,19H,12-13H2,(H,20,22);1H/b19-18-;
InChIKeyJRXBYNKHAMMAJU-TVWXOORISA-N
XLogP3.68
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride (CID 6602891) is N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride is Cl.[H]/N=c1\sccn1CC(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The InChIKey is JRXBYNKHAMMAJU-TVWXOORISA-N. The full InChI is InChI=1S/C18H17N3OS.ClH/c19-18-21(10-11-23-18)13-17(22)20-16-9-5-4-8-15(16)12-14-6-2-1-3-7-14;/h1-11,19H,12-13H2,(H,20,22);1H/b19-18-;.
What are the key properties of N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 6602891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).