N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine

C18H18N2S — CID 62543017

IUPACN-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C18H18N2S/c1-2-19-13-16-20-17(14-9-5-3-6-10-14)18(21-16)15-11-7-4-8-12-15/h3-12,19H,2,13H2,1H3
InChIKeyNUGZKTFXDLZCHY-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.59
Rot. Bonds5

About N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine

N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 62543017) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID62543017
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C18H18N2S/c1-2-19-13-16-20-17(14-9-5-3-6-10-14)18(21-16)15-11-7-4-8-12-15/h3-12,19H,2,13H2,1H3
InChIKeyNUGZKTFXDLZCHY-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 62543017) is N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine is CCNCc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is NUGZKTFXDLZCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-2-19-13-16-20-17(14-9-5-3-6-10-14)18(21-16)15-11-7-4-8-12-15/h3-12,19H,2,13H2,1H3.
What are the key properties of N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62543017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).