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

C11H22N2S — CID 106330136

IUPAC5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(NC(C)(CC)CC)S1
InChIInChI=1S/C11H22N2S/c1-5-9-8-12-10(14-9)13-11(4,6-2)7-3/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyBAMREEVBQNYWCD-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.04
Rot. Bonds4

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

5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106330136) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106330136
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(NC(C)(CC)CC)S1
InChIInChI=1S/C11H22N2S/c1-5-9-8-12-10(14-9)13-11(4,6-2)7-3/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyBAMREEVBQNYWCD-UHFFFAOYSA-N
XLogP3.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106330136) is 5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CN=C(NC(C)(CC)CC)S1.
What is the InChIKey of 5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BAMREEVBQNYWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-5-9-8-12-10(14-9)13-11(4,6-2)7-3/h9H,5-8H2,1-4H3,(H,12,13).
What are the key properties of 5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 214.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106330136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).