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

C12H16N2S — CID 2133441

IUPACN-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCc1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C12H16N2S/c1-2-10-4-6-11(7-5-10)14-12-13-8-3-9-15-12/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChIKeyOSKCNZZSIHVFTH-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.15
Rot. Bonds2

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

N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2133441) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2133441
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCc1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C12H16N2S/c1-2-10-4-6-11(7-5-10)14-12-13-8-3-9-15-12/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChIKeyOSKCNZZSIHVFTH-UHFFFAOYSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2133441) is N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCc1ccc(NC2=NCCCS2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OSKCNZZSIHVFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-10-4-6-11(7-5-10)14-12-13-8-3-9-15-12/h4-7H,2-3,8-9H2,1H3,(H,13,14).
What are the key properties of N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2133441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).