N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride

C17H15Cl2N3O2S — CID 11948743

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C17H14ClN3O2S.ClH/c18-12-6-7-15(23-13-4-2-1-3-5-13)14(10-12)20-16(22)11-21-8-9-24-17(21)19;/h1-10,19H,11H2,(H,20,22);1H/b19-17-;
InChIKeyOBZABFWUUWKLMK-HGMLFDQWSA-N
MW396.30 g/mol
LogP4.54
Rot. Bonds5

About N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride

N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride (PubChem CID 11948743) has the molecular formula C17H15Cl2N3O2S and a molecular weight of 396.30 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
PubChem CID11948743
Molecular FormulaC17H15Cl2N3O2S
Molecular Weight396.30 g/mol
Exact Mass395.03
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C17H14ClN3O2S.ClH/c18-12-6-7-15(23-13-4-2-1-3-5-13)14(10-12)20-16(22)11-21-8-9-24-17(21)19;/h1-10,19H,11H2,(H,20,22);1H/b19-17-;
InChIKeyOBZABFWUUWKLMK-HGMLFDQWSA-N
XLogP4.54
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride (CID 11948743) is N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride is Cl.[H]/N=c1\sccn1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The InChIKey is OBZABFWUUWKLMK-HGMLFDQWSA-N. The full InChI is InChI=1S/C17H14ClN3O2S.ClH/c18-12-6-7-15(23-13-4-2-1-3-5-13)14(10-12)20-16(22)11-21-8-9-24-17(21)19;/h1-10,19H,11H2,(H,20,22);1H/b19-17-;.
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride has a molecular weight of 396.30 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 11948743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).