N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide

C14H17N3O2S — CID 39163001

IUPACN-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide
SMILESCc1nc(-c2ccccc2OCC(=O)NCCN)cs1
InChIInChI=1S/C14H17N3O2S/c1-10-17-12(9-20-10)11-4-2-3-5-13(11)19-8-14(18)16-7-6-15/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyYRWOZYUVRTWUIN-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.57
Rot. Bonds6

About N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide

N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide (PubChem CID 39163001) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide
PubChem CID39163001
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide
SMILESCc1nc(-c2ccccc2OCC(=O)NCCN)cs1
InChIInChI=1S/C14H17N3O2S/c1-10-17-12(9-20-10)11-4-2-3-5-13(11)19-8-14(18)16-7-6-15/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyYRWOZYUVRTWUIN-UHFFFAOYSA-N
XLogP1.57
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574
2-(2-methylphenoxy)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533248
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28857665
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28857578
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
CID 56832420
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813
4-[[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967635
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16601830
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-chloro-2-methylphenyl)acetamide
CID 28857548

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide (CID 39163001) is N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide is Cc1nc(-c2ccccc2OCC(=O)NCCN)cs1.
What is the InChIKey of N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide?
The InChIKey is YRWOZYUVRTWUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-17-12(9-20-10)11-4-2-3-5-13(11)19-8-14(18)16-7-6-15/h2-5,9H,6-8,15H2,1H3,(H,16,18).
What are the key properties of N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide?
N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 39163001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).