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

C7H13FN2S — CID 130504501

IUPACN-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFCCCNC1=NCCCS1
InChIInChI=1S/C7H13FN2S/c8-3-1-4-9-7-10-5-2-6-11-7/h1-6H2,(H,9,10)
InChIKeyMIZXMVYYGRSTTQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.43
Rot. Bonds3

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

N-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 130504501) has the molecular formula C7H13FN2S and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID130504501
Molecular FormulaC7H13FN2S
Molecular Weight176.26 g/mol
Exact Mass176.08
IUPAC NameN-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFCCCNC1=NCCCS1
InChIInChI=1S/C7H13FN2S/c8-3-1-4-9-7-10-5-2-6-11-7/h1-6H2,(H,9,10)
InChIKeyMIZXMVYYGRSTTQ-UHFFFAOYSA-N
XLogP1.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 130504501) is N-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is FCCCNC1=NCCCS1.
What is the InChIKey of N-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is MIZXMVYYGRSTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2S/c8-3-1-4-9-7-10-5-2-6-11-7/h1-6H2,(H,9,10).
What are the key properties of N-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 176.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 130504501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).