2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine

C16H16N2OS — CID 79786485

IUPAC2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1sc(-c2ccoc2)nc1-c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-17-9-7-14-15(12-5-3-2-4-6-12)18-16(20-14)13-8-10-19-11-13/h2-6,8,10-11,17H,7,9H2,1H3
InChIKeyJVJYKCZEOAUUBO-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.83
Rot. Bonds5

About 2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine

2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 79786485) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID79786485
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1sc(-c2ccoc2)nc1-c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-17-9-7-14-15(12-5-3-2-4-6-12)18-16(20-14)13-8-10-19-11-13/h2-6,8,10-11,17H,7,9H2,1H3
InChIKeyJVJYKCZEOAUUBO-UHFFFAOYSA-N
XLogP3.83
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79786314
N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
CID 79786398
5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81178171
2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79782622
N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 104790787
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116730659
1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81173545
N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782811
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
N-methyl-1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81173465

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 79786485) is 2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine is CNCCc1sc(-c2ccoc2)nc1-c1ccccc1.
What is the InChIKey of 2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is JVJYKCZEOAUUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-17-9-7-14-15(12-5-3-2-4-6-12)18-16(20-14)13-8-10-19-11-13/h2-6,8,10-11,17H,7,9H2,1H3.
What are the key properties of 2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 79786485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).