2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide

C17H15N3O2S — CID 3568385

IUPAC2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H15N3O2S/c18-17-20(10-11-23-17)12-16(21)19-13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-11,18H,12H2,(H,19,21)/b18-17-
InChIKeyXTGRGEGJLMJZRM-ZCXUNETKSA-N
MW325.39 g/mol
LogP3.46
Rot. Bonds5

About 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide

2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide (PubChem CID 3568385) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
PubChem CID3568385
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H15N3O2S/c18-17-20(10-11-23-17)12-16(21)19-13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-11,18H,12H2,(H,19,21)/b18-17-
InChIKeyXTGRGEGJLMJZRM-ZCXUNETKSA-N
XLogP3.46
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 2608047
2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5168236
N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 4537458
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
CID 53351047
N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 3488325
N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
CID 53314557
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 8716246
ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid
CID 91481035
2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 71827899
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
N-(4-phenoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2505978
2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 100740298

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide (CID 3568385) is 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide is [H]/N=c1\sccn1CC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is XTGRGEGJLMJZRM-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H15N3O2S/c18-17-20(10-11-23-17)12-16(21)19-13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-11,18H,12H2,(H,19,21)/b18-17-.
What are the key properties of 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide?
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 325.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 3568385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).