4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H26N2S — CID 113495991

IUPAC4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCC(NC2=NC(CC)CCS2)CC1
InChIInChI=1S/C14H26N2S/c1-3-11-5-7-13(8-6-11)16-14-15-12(4-2)9-10-17-14/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyOHUSGCGWVCHPBE-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.82
Rot. Bonds3

About 4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 113495991) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID113495991
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCC(NC2=NC(CC)CCS2)CC1
InChIInChI=1S/C14H26N2S/c1-3-11-5-7-13(8-6-11)16-14-15-12(4-2)9-10-17-14/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyOHUSGCGWVCHPBE-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 113495991) is 4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC1CCC(NC2=NC(CC)CCS2)CC1.
What is the InChIKey of 4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OHUSGCGWVCHPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-3-11-5-7-13(8-6-11)16-14-15-12(4-2)9-10-17-14/h11-13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 254.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 113495991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).