2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide

C19H19N3O2S — CID 28856761

IUPAC2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
SMILESCc1sc(N)nc1-c1ccc(OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13-18(22-19(20)25-13)15-7-9-16(10-8-15)24-12-17(23)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,20,22)(H,21,23)
InChIKeyDPFHJUJQMVYREM-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.40
Rot. Bonds6

About 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide

2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide (PubChem CID 28856761) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
PubChem CID28856761
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
SMILESCc1sc(N)nc1-c1ccc(OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13-18(22-19(20)25-13)15-7-9-16(10-8-15)24-12-17(23)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,20,22)(H,21,23)
InChIKeyDPFHJUJQMVYREM-UHFFFAOYSA-N
XLogP3.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide
CID 91356412
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)acetamide
CID 121122800
2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071437
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7706771
ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856993
ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate
CID 28857021
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 28856770
N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide
CID 94832020
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide?
The IUPAC name of 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide (CID 28856761) is 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide.
What is the SMILES notation for 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide?
The canonical SMILES for 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide is Cc1sc(N)nc1-c1ccc(OCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide?
The InChIKey is DPFHJUJQMVYREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-18(22-19(20)25-13)15-7-9-16(10-8-15)24-12-17(23)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide?
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide has a molecular weight of 353.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide is sourced from PubChem (CID 28856761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).