N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H18N2S — CID 17338702

IUPACN-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC=CCN(Cc1ccccc1)C1=NCCCS1
InChIInChI=1S/C14H18N2S/c1-2-10-16(14-15-9-6-11-17-14)12-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2
InChIKeyVQQLFHQPNYRZDC-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.17
Rot. Bonds4

About N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338702) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338702
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC=CCN(Cc1ccccc1)C1=NCCCS1
InChIInChI=1S/C14H18N2S/c1-2-10-16(14-15-9-6-11-17-14)12-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2
InChIKeyVQQLFHQPNYRZDC-UHFFFAOYSA-N
XLogP3.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338702) is N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine is C=CCN(Cc1ccccc1)C1=NCCCS1.
What is the InChIKey of N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is VQQLFHQPNYRZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-2-10-16(14-15-9-6-11-17-14)12-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2.
What are the key properties of N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-prop-2-enyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).