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

C15H30N2S — CID 107154622

IUPAC5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CCCCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C15H30N2S/c1-12(2)8-6-7-9-16-14-17-11-13(18-14)10-15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,17)
InChIKeyQKCDYVKZSSZWIA-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.31
Rot. Bonds6

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

5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154622) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154622
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CCCCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C15H30N2S/c1-12(2)8-6-7-9-16-14-17-11-13(18-14)10-15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,17)
InChIKeyQKCDYVKZSSZWIA-UHFFFAOYSA-N
XLogP4.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154622) is 5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CCCCNC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QKCDYVKZSSZWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-12(2)8-6-7-9-16-14-17-11-13(18-14)10-15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,17).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.49 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).