2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide

C16H20FN3O2S — CID 56810267

IUPAC2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3O2S/c1-11(2)20(8-15(18)21)7-13-10-23-16(19-13)9-22-14-5-3-12(17)4-6-14/h3-6,10-11H,7-9H2,1-2H3,(H2,18,21)
InChIKeyWRBNINRUVFHMQK-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.56
Rot. Bonds8

About 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide

2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide (PubChem CID 56810267) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
PubChem CID56810267
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3O2S/c1-11(2)20(8-15(18)21)7-13-10-23-16(19-13)9-22-14-5-3-12(17)4-6-14/h3-6,10-11H,7-9H2,1-2H3,(H2,18,21)
InChIKeyWRBNINRUVFHMQK-UHFFFAOYSA-N
XLogP2.56
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(2-methylthiazol-4-yl)ethyl)-2-phenoxyacetamide
CID 5310131
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)acetamide
CID 24714429
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009264
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)butanamide
CID 168269504
1-(benzenesulfonyl)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)formamide
CID 168278085
N-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712420
[2-[(2-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 24712457
[2-[(3-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 24712460
N-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712465
[2-[(2,4-Difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 24712619
N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712620
N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712651

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide (CID 56810267) is 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)Cc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide?
The InChIKey is WRBNINRUVFHMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-11(2)20(8-15(18)21)7-13-10-23-16(19-13)9-22-14-5-3-12(17)4-6-14/h3-6,10-11H,7-9H2,1-2H3,(H2,18,21).
What are the key properties of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide?
2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 56810267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).