4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine

C18H20N2S — CID 63261477

IUPAC4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NC(Cc2ccccc2)CS1)c1ccccc1
InChIInChI=1S/C18H20N2S/c1-14(16-10-6-3-7-11-16)19-18-20-17(13-21-18)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,19,20)
InChIKeyLZHSFPPDVQNMHO-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.05
Rot. Bonds4

About 4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine

4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63261477) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63261477
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NC(Cc2ccccc2)CS1)c1ccccc1
InChIInChI=1S/C18H20N2S/c1-14(16-10-6-3-7-11-16)19-18-20-17(13-21-18)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,19,20)
InChIKeyLZHSFPPDVQNMHO-UHFFFAOYSA-N
XLogP4.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63261477) is 4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(NC1=NC(Cc2ccccc2)CS1)c1ccccc1.
What is the InChIKey of 4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LZHSFPPDVQNMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-14(16-10-6-3-7-11-16)19-18-20-17(13-21-18)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,19,20).
What are the key properties of 4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 296.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63261477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).