N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide

C14H16N2O2S — CID 5310131

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide
SMILESCc1nc(CCNC(=O)COc2ccccc2)cs1
InChIInChI=1S/C14H16N2O2S/c1-11-16-12(10-19-11)7-8-15-14(17)9-18-13-5-3-2-4-6-13/h2-6,10H,7-9H2,1H3,(H,15,17)
InChIKeyFATPRSUNVXKEED-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.19
Rot. Bonds6

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide (PubChem CID 5310131) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide
PubChem CID5310131
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide
SMILESCc1nc(CCNC(=O)COc2ccccc2)cs1
InChIInChI=1S/C14H16N2O2S/c1-11-16-12(10-19-11)7-8-15-14(17)9-18-13-5-3-2-4-6-13/h2-6,10H,7-9H2,1H3,(H,15,17)
InChIKeyFATPRSUNVXKEED-UHFFFAOYSA-N
XLogP2.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-2-phenoxyacetamide
CID 7518480
N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 7287513
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 7522123
2-[[2-[(4-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 56810267
N-[4-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-4-yl]but-3-yn-2-yl]acetamide
CID 11674600
N-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712465
N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712651
2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 24712791
2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712823
2-[(4-fluorophenoxy)methyl]-N-(propan-2-yl)-1,3-thiazole-4-carboxamide
CID 24712831
N-ethyl-2-[(3-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24713032
2-(o-Fluorophenoxy)-1-{4-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}-1-ethanone
CID 29697806

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide (CID 5310131) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide is Cc1nc(CCNC(=O)COc2ccccc2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is FATPRSUNVXKEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-16-12(10-19-11)7-8-15-14(17)9-18-13-5-3-2-4-6-13/h2-6,10H,7-9H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 276.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 5310131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).