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

C18H20N2S — CID 63261096

IUPAC4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1cccc(NC2=NC(Cc3ccccc3)CS2)c1
InChIInChI=1S/C18H20N2S/c1-2-14-9-6-10-16(11-14)19-18-20-17(13-21-18)12-15-7-4-3-5-8-15/h3-11,17H,2,12-13H2,1H3,(H,19,20)
InChIKeyFLNPPVWJFYYFQJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.38
Rot. Bonds4

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

4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63261096) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63261096
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1cccc(NC2=NC(Cc3ccccc3)CS2)c1
InChIInChI=1S/C18H20N2S/c1-2-14-9-6-10-16(11-14)19-18-20-17(13-21-18)12-15-7-4-3-5-8-15/h3-11,17H,2,12-13H2,1H3,(H,19,20)
InChIKeyFLNPPVWJFYYFQJ-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-benzyl-N-(3-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 135033006
4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261697
N-(3-ethylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187098
4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261345
N-(3-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385646
4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261261
4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261342
4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261477
N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 28878465
4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261659
4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261356
N-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61245945

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63261096) is 4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is CCc1cccc(NC2=NC(Cc3ccccc3)CS2)c1.
What is the InChIKey of 4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FLNPPVWJFYYFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-2-14-9-6-10-16(11-14)19-18-20-17(13-21-18)12-15-7-4-3-5-8-15/h3-11,17H,2,12-13H2,1H3,(H,19,20).
What are the key properties of 4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 296.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63261096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).