4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C16H24N2S — CID 63261356

IUPAC4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCC(C)NC1=NC(Cc2ccccc2)CS1
InChIInChI=1S/C16H24N2S/c1-3-4-8-13(2)17-16-18-15(12-19-16)11-14-9-6-5-7-10-14/h5-7,9-10,13,15H,3-4,8,11-12H2,1-2H3,(H,17,18)
InChIKeyZORZYXFFQDJGID-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.87
Rot. Bonds6

About 4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63261356) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63261356
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCC(C)NC1=NC(Cc2ccccc2)CS1
InChIInChI=1S/C16H24N2S/c1-3-4-8-13(2)17-16-18-15(12-19-16)11-14-9-6-5-7-10-14/h5-7,9-10,13,15H,3-4,8,11-12H2,1-2H3,(H,17,18)
InChIKeyZORZYXFFQDJGID-UHFFFAOYSA-N
XLogP3.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261477
4-benzyl-N-tert-butyl-4,5-dihydro-1,3-thiazol-2-amine
CID 55169774
4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261096
4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261659
4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261345
4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261697
4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261261
(4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine
CID 10658971
N-(1-phenylpropan-2-yl)hexan-2-amine
CID 63012254
4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43439518
4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351476
4-methyl-N-(5-methylhexan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63925920

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 63261356) is 4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCCCC(C)NC1=NC(Cc2ccccc2)CS1.
What is the InChIKey of 4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZORZYXFFQDJGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-3-4-8-13(2)17-16-18-15(12-19-16)11-14-9-6-5-7-10-14/h5-7,9-10,13,15H,3-4,8,11-12H2,1-2H3,(H,17,18).
What are the key properties of 4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 276.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63261356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).