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

C14H20N2S — CID 3775826

IUPACN-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCCc1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C14H20N2S/c1-2-3-5-12-6-8-13(9-7-12)16-14-15-10-4-11-17-14/h6-9H,2-5,10-11H2,1H3,(H,15,16)
InChIKeyPXOMUSMGYFLSLS-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.93
Rot. Bonds4

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

N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 3775826) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID3775826
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCCc1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C14H20N2S/c1-2-3-5-12-6-8-13(9-7-12)16-14-15-10-4-11-17-14/h6-9H,2-5,10-11H2,1H3,(H,15,16)
InChIKeyPXOMUSMGYFLSLS-UHFFFAOYSA-N
XLogP3.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 3775826) is N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCCCc1ccc(NC2=NCCCS2)cc1.
What is the InChIKey of N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is PXOMUSMGYFLSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-3-5-12-6-8-13(9-7-12)16-14-15-10-4-11-17-14/h6-9H,2-5,10-11H2,1H3,(H,15,16).
What are the key properties of N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 3775826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).