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

C18H17ClN3OS- — CID 53314557

IUPACN-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
SMILES[Cl-].[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/p-1/b19-18-;
InChIKeyJRXBYNKHAMMAJU-TVWXOORISA-M
MW358.87 g/mol
LogP0.26
Rot. Bonds5

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

N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride (PubChem CID 53314557) has the molecular formula C18H17ClN3OS- and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
PubChem CID53314557
Molecular FormulaC18H17ClN3OS-
Molecular Weight358.87 g/mol
Exact Mass358.08
IUPAC NameN-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
SMILES[Cl-].[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/p-1/b19-18-;
InChIKeyJRXBYNKHAMMAJU-TVWXOORISA-M
XLogP0.26
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 50.26
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 chloride?
The IUPAC name of N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride (CID 53314557) is N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride.
What is the SMILES notation for N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride?
The canonical SMILES for N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride 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 chloride?
The InChIKey is JRXBYNKHAMMAJU-TVWXOORISA-M. 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/p-1/b19-18-;.
What are the key properties of N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride?
N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride has a molecular weight of 358.87 g/mol, XLogP of 0.26, 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 chloride is sourced from PubChem (CID 53314557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).