N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine

C18H18N2S — CID 61329994

IUPACN-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(-c2ccccc2)cc1)c1nccs1
InChIInChI=1S/C18H18N2S/c1-2-19-17(18-20-12-13-21-18)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,17,19H,2H2,1H3
InChIKeyVREVLOIAPSWENJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.51
Rot. Bonds5

About N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine

N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 61329994) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID61329994
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(-c2ccccc2)cc1)c1nccs1
InChIInChI=1S/C18H18N2S/c1-2-19-17(18-20-12-13-21-18)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,17,19H,2H2,1H3
InChIKeyVREVLOIAPSWENJ-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-phenylphenyl)-(1,3-thiazol-2-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine (CID 61329994) is N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1ccc(-c2ccccc2)cc1)c1nccs1.
What is the InChIKey of N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is VREVLOIAPSWENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-2-19-17(18-20-12-13-21-18)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,17,19H,2H2,1H3.
What are the key properties of N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61329994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).