N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide

C13H14N2O2S — CID 17361679

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
SMILESCc1csc(NC(=O)CCOc2ccccc2)n1
InChIInChI=1S/C13H14N2O2S/c1-10-9-18-13(14-10)15-12(16)7-8-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16)
InChIKeyTZXLINUKKSJEDN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.86
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide

N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide (PubChem CID 17361679) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
PubChem CID17361679
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
SMILESCc1csc(NC(=O)CCOc2ccccc2)n1
InChIInChI=1S/C13H14N2O2S/c1-10-9-18-13(14-10)15-12(16)7-8-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16)
InChIKeyTZXLINUKKSJEDN-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 4109767
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 2679260
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134838
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361677
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-phenoxypropanamide
CID 30728939
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 2150728
3-[[benzyl(methyl)carbamoyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 60577555
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide (CID 17361679) is N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide is Cc1csc(NC(=O)CCOc2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide?
The InChIKey is TZXLINUKKSJEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10-9-18-13(14-10)15-12(16)7-8-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide has a molecular weight of 262.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide is sourced from PubChem (CID 17361679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).