N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine

C15H18N2S — CID 82103343

IUPACN-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine
SMILESC=CCNCCc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C15H18N2S/c1-3-9-16-10-8-15-17-14(11-18-15)13-6-4-12(2)5-7-13/h3-7,11,16H,1,8-10H2,2H3
InChIKeyJRPZJGLIKUYEBJ-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.44
Rot. Bonds6

About N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine

N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine (PubChem CID 82103343) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine
PubChem CID82103343
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine
SMILESC=CCNCCc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C15H18N2S/c1-3-9-16-10-8-15-17-14(11-18-15)13-6-4-12(2)5-7-13/h3-7,11,16H,1,8-10H2,2H3
InChIKeyJRPZJGLIKUYEBJ-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-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-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid
CID 82103135
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968163
N-[2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine
CID 82103351
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine
CID 82103460
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]-3-methoxypropan-1-amine
CID 82103057
2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968225

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine (CID 82103343) is N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine is C=CCNCCc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine?
The InChIKey is JRPZJGLIKUYEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-3-9-16-10-8-15-17-14(11-18-15)13-6-4-12(2)5-7-13/h3-7,11,16H,1,8-10H2,2H3.
What are the key properties of N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine?
N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine has a molecular weight of 258.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine is sourced from PubChem (CID 82103343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).