N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C13H14N2S2 — CID 83187964

IUPACN-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccc3sccc3c2)=N1
InChIInChI=1S/C13H14N2S2/c1-9-4-6-17-13(14-9)15-11-2-3-12-10(8-11)5-7-16-12/h2-3,5,7-9H,4,6H2,1H3,(H,14,15)
InChIKeyLFIMPSWXNBSDEA-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.19
Rot. Bonds1

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

N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83187964) has the molecular formula C13H14N2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83187964
Molecular FormulaC13H14N2S2
Molecular Weight262.40 g/mol
Exact Mass262.06
IUPAC NameN-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccc3sccc3c2)=N1
InChIInChI=1S/C13H14N2S2/c1-9-4-6-17-13(14-9)15-11-2-3-12-10(8-11)5-7-16-12/h2-3,5,7-9H,4,6H2,1H3,(H,14,15)
InChIKeyLFIMPSWXNBSDEA-UHFFFAOYSA-N
XLogP4.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83187964) is N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CCSC(Nc2ccc3sccc3c2)=N1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is LFIMPSWXNBSDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S2/c1-9-4-6-17-13(14-9)15-11-2-3-12-10(8-11)5-7-16-12/h2-3,5,7-9H,4,6H2,1H3,(H,14,15).
What are the key properties of N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83187964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).