2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide

C13H15N3OS — CID 64993085

IUPAC2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccccc1CC(N)=O)c1nccs1
InChIInChI=1S/C13H15N3OS/c1-9(13-15-6-7-18-13)16-11-5-3-2-4-10(11)8-12(14)17/h2-7,9,16H,8H2,1H3,(H2,14,17)
InChIKeyQRIRKLMNEGEZNG-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide

2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide (PubChem CID 64993085) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
PubChem CID64993085
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccccc1CC(N)=O)c1nccs1
InChIInChI=1S/C13H15N3OS/c1-9(13-15-6-7-18-13)16-11-5-3-2-4-10(11)8-12(14)17/h2-7,9,16H,8H2,1H3,(H2,14,17)
InChIKeyQRIRKLMNEGEZNG-UHFFFAOYSA-N
XLogP2.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993290
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 64993195
N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide
CID 64993033
2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64992944
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988333
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 112689948
3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
CID 80516783
2-[2-[1-(2,5-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43738423

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide?
The IUPAC name of 2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide (CID 64993085) is 2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide?
The canonical SMILES for 2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide is CC(Nc1ccccc1CC(N)=O)c1nccs1.
What is the InChIKey of 2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide?
The InChIKey is QRIRKLMNEGEZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(13-15-6-7-18-13)16-11-5-3-2-4-10(11)8-12(14)17/h2-7,9,16H,8H2,1H3,(H2,14,17).
What are the key properties of 2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide?
2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 64993085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).