N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C15H20N2S — CID 114031688

IUPACN-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1cnc(C)s1
InChIInChI=1S/C15H20N2S/c1-4-12-7-6-8-13(9-12)15(16-5-2)14-10-17-11(3)18-14/h6-10,15-16H,4-5H2,1-3H3
InChIKeyJYNQDCRCTBECHH-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.71
Rot. Bonds5

About N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 114031688) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID114031688
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1cnc(C)s1
InChIInChI=1S/C15H20N2S/c1-4-12-7-6-8-13(9-12)15(16-5-2)14-10-17-11(3)18-14/h6-10,15-16H,4-5H2,1-3H3
InChIKeyJYNQDCRCTBECHH-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine 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

N-[(4,5-dibromothiophen-2-yl)-(3-ethylphenyl)methyl]ethanamine
CID 105018887
N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018508
N-[(4-ethoxyphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018505
N-[(3-ethyl-6-methylpyridazin-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 105171145
N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107976676
N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107102860
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018537
N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105171117
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804
N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 102812685
N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107994577
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 114031688) is N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is CCNC(c1cccc(CC)c1)c1cnc(C)s1.
What is the InChIKey of N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is JYNQDCRCTBECHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-12-7-6-8-13(9-12)15(16-5-2)14-10-17-11(3)18-14/h6-10,15-16H,4-5H2,1-3H3.
What are the key properties of N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114031688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).