N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide

C16H21N3OS — CID 104584995

IUPACN-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC(C)c2nccs2)c1
InChIInChI=1S/C16H21N3OS/c1-11(16-17-7-8-21-16)10-18-12(2)14-5-4-6-15(9-14)19-13(3)20/h4-9,11-12,18H,10H2,1-3H3,(H,19,20)
InChIKeyMCXUMEOXSVZDRL-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.56
Rot. Bonds6

About N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide

N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide (PubChem CID 104584995) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide
PubChem CID104584995
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC(C)c2nccs2)c1
InChIInChI=1S/C16H21N3OS/c1-11(16-17-7-8-21-16)10-18-12(2)14-5-4-6-15(9-14)19-13(3)20/h4-9,11-12,18H,10H2,1-3H3,(H,19,20)
InChIKeyMCXUMEOXSVZDRL-UHFFFAOYSA-N
XLogP3.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide
CID 97323196
N-[1-(3-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585029
3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585100
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
(2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 124846660
N-[3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]acetamide
CID 43210210
methyl 4-[1-(3-acetamidophenyl)ethylamino]butanoate
CID 60782458
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-[1-(4-methyl-3-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584889
N-[3-[(1R)-1-[(4-methoxy-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
CID 99854055
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide (CID 104584995) is N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCC(C)c2nccs2)c1.
What is the InChIKey of N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide?
The InChIKey is MCXUMEOXSVZDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(16-17-7-8-21-16)10-18-12(2)14-5-4-6-15(9-14)19-13(3)20/h4-9,11-12,18H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide?
N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 104584995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).