N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C13H24N2OS — CID 83028747

IUPACN-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1(CC)CC(NC2=NCC(C)S2)CCO1
InChIInChI=1S/C13H24N2OS/c1-4-13(5-2)8-11(6-7-16-13)15-12-14-9-10(3)17-12/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyKYBAYWKWENTGMA-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.81
Rot. Bonds3

About N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 83028747) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID83028747
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1(CC)CC(NC2=NCC(C)S2)CCO1
InChIInChI=1S/C13H24N2OS/c1-4-13(5-2)8-11(6-7-16-13)15-12-14-9-10(3)17-12/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyKYBAYWKWENTGMA-UHFFFAOYSA-N
XLogP2.81
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 83028747) is N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1(CC)CC(NC2=NCC(C)S2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KYBAYWKWENTGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-13(5-2)8-11(6-7-16-13)15-12-14-9-10(3)17-12/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 83028747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).