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

C18H17N3O2S — CID 2608047

IUPAC2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H17N3O2S/c19-18-21(10-11-24-18)12-17(22)20-15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,20,22)/b19-18-
InChIKeyHEBYTPOIHGFYAL-HNENSFHCSA-N
MW339.42 g/mol
LogP3.25
Rot. Bonds6

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

2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 2608047) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID2608047
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H17N3O2S/c19-18-21(10-11-24-18)12-17(22)20-15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,20,22)/b19-18-
InChIKeyHEBYTPOIHGFYAL-HNENSFHCSA-N
XLogP3.25
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4799847
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 17492143
N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
CID 42966966
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 166251748
2-(4-aminopiperidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119907132
2-(2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 110686797
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylic acid
CID 2387556
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide (CID 2608047) is 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide is [H]/N=c1\sccn1CC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is HEBYTPOIHGFYAL-HNENSFHCSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-18-21(10-11-24-18)12-17(22)20-15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,20,22)/b19-18-.
What are the key properties of 2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide?
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.25, 6 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-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 2608047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).