2-iminopyrido[3,2-e][1,3]thiazin-4-amine

C7H6N4S — CID 3357838

IUPAC2-iminopyrido[3,2-e][1,3]thiazin-4-amine
SMILES[H]/N=c1/nc(N)c2cccnc2s1
InChIInChI=1S/C7H6N4S/c8-5-4-2-1-3-10-6(4)12-7(9)11-5/h1-3H,(H3,8,9,11)
InChIKeyAVMSTISLRCBKJB-UHFFFAOYSA-N
MW178.22 g/mol
LogP0.75
Rot. Bonds

About 2-iminopyrido[3,2-e][1,3]thiazin-4-amine

2-iminopyrido[3,2-e][1,3]thiazin-4-amine (PubChem CID 3357838) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is 2-iminopyrido[3,2-e][1,3]thiazin-4-amine.

Molecular Properties

Compound Name2-iminopyrido[3,2-e][1,3]thiazin-4-amine
PubChem CID3357838
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name2-iminopyrido[3,2-e][1,3]thiazin-4-amine
SMILES[H]/N=c1/nc(N)c2cccnc2s1
InChIInChI=1S/C7H6N4S/c8-5-4-2-1-3-10-6(4)12-7(9)11-5/h1-3H,(H3,8,9,11)
InChIKeyAVMSTISLRCBKJB-UHFFFAOYSA-N
XLogP0.75
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-iminopyrido[3,2-e][1,3]thiazin-4-amine?
The IUPAC name of 2-iminopyrido[3,2-e][1,3]thiazin-4-amine (CID 3357838) is 2-iminopyrido[3,2-e][1,3]thiazin-4-amine.
What is the SMILES notation for 2-iminopyrido[3,2-e][1,3]thiazin-4-amine?
The canonical SMILES for 2-iminopyrido[3,2-e][1,3]thiazin-4-amine is [H]/N=c1/nc(N)c2cccnc2s1.
What is the InChIKey of 2-iminopyrido[3,2-e][1,3]thiazin-4-amine?
The InChIKey is AVMSTISLRCBKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c8-5-4-2-1-3-10-6(4)12-7(9)11-5/h1-3H,(H3,8,9,11).
What are the key properties of 2-iminopyrido[3,2-e][1,3]thiazin-4-amine?
2-iminopyrido[3,2-e][1,3]thiazin-4-amine has a molecular weight of 178.22 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminopyrido[3,2-e][1,3]thiazin-4-amine is sourced from PubChem (CID 3357838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).