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

C18H20N2S — CID 63261345

IUPAC4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NC(Cc3ccccc3)CS2)c(C)c1
InChIInChI=1S/C18H20N2S/c1-13-8-9-17(14(2)10-13)20-18-19-16(12-21-18)11-15-6-4-3-5-7-15/h3-10,16H,11-12H2,1-2H3,(H,19,20)
InChIKeyXHOVJCSFBKVEAY-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.43
Rot. Bonds3

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

4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63261345) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63261345
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NC(Cc3ccccc3)CS2)c(C)c1
InChIInChI=1S/C18H20N2S/c1-13-8-9-17(14(2)10-13)20-18-19-16(12-21-18)11-15-6-4-3-5-7-15/h3-10,16H,11-12H2,1-2H3,(H,19,20)
InChIKeyXHOVJCSFBKVEAY-UHFFFAOYSA-N
XLogP4.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63261345) is 4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(NC2=NC(Cc3ccccc3)CS2)c(C)c1.
What is the InChIKey of 4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XHOVJCSFBKVEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-13-8-9-17(14(2)10-13)20-18-19-16(12-21-18)11-15-6-4-3-5-7-15/h3-10,16H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 296.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63261345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).