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

C14H28N2S — CID 107154056

IUPAC5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(C)C(C)NC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C14H28N2S/c1-7-10(2)11(3)16-13-15-9-12(17-13)8-14(4,5)6/h10-12H,7-9H2,1-6H3,(H,15,16)
InChIKeyUHXVGXMHJAFTRB-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.92
Rot. Bonds4

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

5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154056) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154056
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(C)C(C)NC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C14H28N2S/c1-7-10(2)11(3)16-13-15-9-12(17-13)8-14(4,5)6/h10-12H,7-9H2,1-6H3,(H,15,16)
InChIKeyUHXVGXMHJAFTRB-UHFFFAOYSA-N
XLogP3.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154056) is 5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC(C)C(C)NC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is UHXVGXMHJAFTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-7-10(2)11(3)16-13-15-9-12(17-13)8-14(4,5)6/h10-12H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 256.46 g/mol, XLogP of 3.92, 4 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-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).