2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide

C12H13N3O2S — CID 113373008

IUPAC2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide
SMILESCOc1cccc(NC(C(N)=O)c2nccs2)c1
InChIInChI=1S/C12H13N3O2S/c1-17-9-4-2-3-8(7-9)15-10(11(13)16)12-14-5-6-18-12/h2-7,10,15H,1H3,(H2,13,16)
InChIKeyFHWXRJRKTMINGJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.79
Rot. Bonds5

About 2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide

2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide (PubChem CID 113373008) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide
PubChem CID113373008
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide
SMILESCOc1cccc(NC(C(N)=O)c2nccs2)c1
InChIInChI=1S/C12H13N3O2S/c1-17-9-4-2-3-8(7-9)15-10(11(13)16)12-14-5-6-18-12/h2-7,10,15H,1H3,(H2,13,16)
InChIKeyFHWXRJRKTMINGJ-UHFFFAOYSA-N
XLogP1.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373006
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770250
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 60995627
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate
CID 107124340
methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate
CID 113373016
2-(4-ethylphenyl)-2-(3-methoxyanilino)acetamide
CID 61005414
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 113451359
ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770658
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993607
3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64990616
methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
CID 102840834

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide (CID 113373008) is 2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide is COc1cccc(NC(C(N)=O)c2nccs2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FHWXRJRKTMINGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-17-9-4-2-3-8(7-9)15-10(11(13)16)12-14-5-6-18-12/h2-7,10,15H,1H3,(H2,13,16).
What are the key properties of 2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide?
2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide has a molecular weight of 263.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 113373008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).