N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C16H30N2S — CID 107153785

IUPACN-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NC2CCCCCCC2)S1
InChIInChI=1S/C16H30N2S/c1-16(2,3)11-14-12-17-15(19-14)18-13-9-7-5-4-6-8-10-13/h13-14H,4-12H2,1-3H3,(H,17,18)
InChIKeyUHEMTRZOJQXFLK-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.60
Rot. Bonds2

About N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153785) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153785
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NC2CCCCCCC2)S1
InChIInChI=1S/C16H30N2S/c1-16(2,3)11-14-12-17-15(19-14)18-13-9-7-5-4-6-8-10-13/h13-14H,4-12H2,1-3H3,(H,17,18)
InChIKeyUHEMTRZOJQXFLK-UHFFFAOYSA-N
XLogP4.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153785) is N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(NC2CCCCCCC2)S1.
What is the InChIKey of N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is UHEMTRZOJQXFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-16(2,3)11-14-12-17-15(19-14)18-13-9-7-5-4-6-8-10-13/h13-14H,4-12H2,1-3H3,(H,17,18).
What are the key properties of N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.50 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).