4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine

C23H28N4S — CID 144859868

IUPAC4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine
SMILESC=C(Cc1csc(N)n1)Nc1cccc(CCNC[C@H](C)c2ccccc2)c1
InChIInChI=1S/C23H28N4S/c1-17(20-8-4-3-5-9-20)15-25-12-11-19-7-6-10-21(14-19)26-18(2)13-22-16-28-23(24)27-22/h3-10,14,16-17,25-26H,2,11-13,15H2,1H3,(H2,24,27)/t17-/m0/s1
InChIKeyRRHCZBIJFGOCQR-KRWDZBQOSA-N
MW392.57 g/mol
LogP4.83
Rot. Bonds10

About 4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine

4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine (PubChem CID 144859868) has the molecular formula C23H28N4S and a molecular weight of 392.57 g/mol. Its IUPAC name is 4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine
PubChem CID144859868
Molecular FormulaC23H28N4S
Molecular Weight392.57 g/mol
Exact Mass392.20
IUPAC Name4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine
SMILESC=C(Cc1csc(N)n1)Nc1cccc(CCNC[C@H](C)c2ccccc2)c1
InChIInChI=1S/C23H28N4S/c1-17(20-8-4-3-5-9-20)15-25-12-11-19-7-6-10-21(14-19)26-18(2)13-22-16-28-23(24)27-22/h3-10,14,16-17,25-26H,2,11-13,15H2,1H3,(H2,24,27)/t17-/m0/s1
InChIKeyRRHCZBIJFGOCQR-KRWDZBQOSA-N
XLogP4.83
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine 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

2-(2-amino-1,3-thiazol-4-yl)-N-[3-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 123534088
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide;ethane
CID 144990968
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;dihydrochloride
CID 140665357
N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 62315355
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 62799415
2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
CID 62987863
[(1R)-2-[2-[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]ethylamino]-1-phenylethyl] propanoate
CID 172970232
[2-[2-[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]ethylamino]-1-phenylethyl] 2,2-dimethylpropanoate
CID 155169331
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-(3-cyanophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]acetamide
CID 10295740
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[2-hydroxy-2-(3-isocyanophenyl)ethyl]amino]ethyl]phenyl]acetamide
CID 20687273
4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 82475637

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine (CID 144859868) is 4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine is C=C(Cc1csc(N)n1)Nc1cccc(CCNC[C@H](C)c2ccccc2)c1.
What is the InChIKey of 4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine?
The InChIKey is RRHCZBIJFGOCQR-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N4S/c1-17(20-8-4-3-5-9-20)15-25-12-11-19-7-6-10-21(14-19)26-18(2)13-22-16-28-23(24)27-22/h3-10,14,16-17,25-26H,2,11-13,15H2,1H3,(H2,24,27)/t17-/m0/s1.
What are the key properties of 4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine?
4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine has a molecular weight of 392.57 g/mol, XLogP of 4.83, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-[[(2R)-2-phenylpropyl]amino]ethyl]anilino]prop-2-enyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 144859868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).