N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide

C12H13N3O2S2 — CID 61218167

IUPACN-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCOc1ccc(N)cc1NC(=O)CSc1nccs1
InChIInChI=1S/C12H13N3O2S2/c1-17-10-3-2-8(13)6-9(10)15-11(16)7-19-12-14-4-5-18-12/h2-6H,7,13H2,1H3,(H,15,16)
InChIKeyZBBGRUIXCKWZLA-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.46
Rot. Bonds5

About N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide

N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 61218167) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID61218167
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCOc1ccc(N)cc1NC(=O)CSc1nccs1
InChIInChI=1S/C12H13N3O2S2/c1-17-10-3-2-8(13)6-9(10)15-11(16)7-19-12-14-4-5-18-12/h2-6H,7,13H2,1H3,(H,15,16)
InChIKeyZBBGRUIXCKWZLA-UHFFFAOYSA-N
XLogP2.46
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 61219878
N-(5-amino-2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60876752
N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29268840
N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62410099
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748768
N-(5-amino-2-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198896
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
N-(5-amino-2-methoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 60876936
1-(3-chloro-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
CID 61218742
N-(5-amino-2-methoxyphenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide
CID 62351959
N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 60530030
N-(5-amino-2-methoxyphenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide
CID 63205929

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide (CID 61218167) is N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide is COc1ccc(N)cc1NC(=O)CSc1nccs1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is ZBBGRUIXCKWZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-17-10-3-2-8(13)6-9(10)15-11(16)7-19-12-14-4-5-18-12/h2-6H,7,13H2,1H3,(H,15,16).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide?
N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide has a molecular weight of 295.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 61218167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).