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

C12H24N2S2 — CID 107154426

IUPAC5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCSCCCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C12H24N2S2/c1-12(2,3)8-10-9-14-11(16-10)13-6-5-7-15-4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyLEPCAGNYUWQNEJ-UHFFFAOYSA-N
MW260.47 g/mol
LogP3.24
Rot. Bonds5

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

5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154426) has the molecular formula C12H24N2S2 and a molecular weight of 260.47 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154426
Molecular FormulaC12H24N2S2
Molecular Weight260.47 g/mol
Exact Mass260.14
IUPAC Name5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCSCCCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C12H24N2S2/c1-12(2,3)8-10-9-14-11(16-10)13-6-5-7-15-4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyLEPCAGNYUWQNEJ-UHFFFAOYSA-N
XLogP3.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 53.24
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-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154426) is 5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CSCCCNC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LEPCAGNYUWQNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S2/c1-12(2,3)8-10-9-14-11(16-10)13-6-5-7-15-4/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 260.47 g/mol, XLogP of 3.24, 5 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-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).