4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine

C15H20N2S — CID 115704547

IUPAC4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
SMILESCC(CCc1ccccc1)NC(C)c1cncs1
InChIInChI=1S/C15H20N2S/c1-12(8-9-14-6-4-3-5-7-14)17-13(2)15-10-16-11-18-15/h3-7,10-13,17H,8-9H2,1-2H3
InChIKeyKHADBBPNWFFBPZ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.82
Rot. Bonds6

About 4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine

4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine (PubChem CID 115704547) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
PubChem CID115704547
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
SMILESCC(CCc1ccccc1)NC(C)c1cncs1
InChIInChI=1S/C15H20N2S/c1-12(8-9-14-6-4-3-5-7-14)17-13(2)15-10-16-11-18-15/h3-7,10-13,17H,8-9H2,1-2H3
InChIKeyKHADBBPNWFFBPZ-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-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

3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 113261620
1-(3-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115713565
1-(2-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115710214
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
(1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 103914683
(1R)-1-(2-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 103906295
N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine
CID 115639050
4-phenylbutan-2-ylhydrazine
CID 28622
1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115901615

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine?
The IUPAC name of 4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine (CID 115704547) is 4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine?
The canonical SMILES for 4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine is CC(CCc1ccccc1)NC(C)c1cncs1.
What is the InChIKey of 4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine?
The InChIKey is KHADBBPNWFFBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(8-9-14-6-4-3-5-7-14)17-13(2)15-10-16-11-18-15/h3-7,10-13,17H,8-9H2,1-2H3.
What are the key properties of 4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine?
4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115704547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).