N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide

C17H23N3OS — CID 95180705

IUPACN-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc([C@@H](C)NCc2csc(CC)n2)cc1
InChIInChI=1S/C17H23N3OS/c1-4-16(21)19-14-8-6-13(7-9-14)12(3)18-10-15-11-22-17(5-2)20-15/h6-9,11-12,18H,4-5,10H2,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyBFWUCXVFBMIAOH-GFCCVEGCSA-N
MW317.46 g/mol
LogP3.90
Rot. Bonds7

About N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide

N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide (PubChem CID 95180705) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide
PubChem CID95180705
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc([C@@H](C)NCc2csc(CC)n2)cc1
InChIInChI=1S/C17H23N3OS/c1-4-16(21)19-14-8-6-13(7-9-14)12(3)18-10-15-11-22-17(5-2)20-15/h6-9,11-12,18H,4-5,10H2,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyBFWUCXVFBMIAOH-GFCCVEGCSA-N
XLogP3.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60726588
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409765
N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide
CID 47091161
4-[[1-(4-ethylphenyl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103241787
N-[4-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]propanamide;hydrochloride
CID 47030478
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365728
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180733
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-(4-methylphenyl)-2-[4-[(1-naphthalen-1-ylethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 85000604
N-(4-methylphenyl)-2-[4-[[[(4-methylphenyl)-phenylmethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78788068
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide?
The IUPAC name of N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide (CID 95180705) is N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide is CCC(=O)Nc1ccc([C@@H](C)NCc2csc(CC)n2)cc1.
What is the InChIKey of N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide?
The InChIKey is BFWUCXVFBMIAOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-4-16(21)19-14-8-6-13(7-9-14)12(3)18-10-15-11-22-17(5-2)20-15/h6-9,11-12,18H,4-5,10H2,1-3H3,(H,19,21)/t12-/m1/s1.
What are the key properties of N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide?
N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide has a molecular weight of 317.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide is sourced from PubChem (CID 95180705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).