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

C13H26N2OS — CID 107153896

IUPAC5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOCCCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C13H26N2OS/c1-5-16-8-6-7-14-12-15-10-11(17-12)9-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,15)
InChIKeyINSXBIRAGASXRV-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.91
Rot. Bonds6

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

5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153896) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153896
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOCCCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C13H26N2OS/c1-5-16-8-6-7-14-12-15-10-11(17-12)9-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,15)
InChIKeyINSXBIRAGASXRV-UHFFFAOYSA-N
XLogP2.91
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153896) is 5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCOCCCNC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is INSXBIRAGASXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-5-16-8-6-7-14-12-15-10-11(17-12)9-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,15).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 258.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).