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

C17H25N3S — CID 131171404

IUPACN-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NC2CC(C)N(Cc3ccccc3)C2)SC1
InChIInChI=1S/C17H25N3S/c1-13-9-18-17(21-12-13)19-16-8-14(2)20(11-16)10-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,18,19)
InChIKeyVLUZVHKTIZXVIL-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.98
Rot. Bonds3

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

N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 131171404) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID131171404
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NC2CC(C)N(Cc3ccccc3)C2)SC1
InChIInChI=1S/C17H25N3S/c1-13-9-18-17(21-12-13)19-16-8-14(2)20(11-16)10-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,18,19)
InChIKeyVLUZVHKTIZXVIL-UHFFFAOYSA-N
XLogP2.98
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 131171404) is N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NC2CC(C)N(Cc3ccccc3)C2)SC1.
What is the InChIKey of N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is VLUZVHKTIZXVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-13-9-18-17(21-12-13)19-16-8-14(2)20(11-16)10-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,18,19).
What are the key properties of N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 303.47 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 131171404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).