N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine

C8H9N5O2S — CID 14772206

IUPACN-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1nc(Nc2nccs2)nc(OC)n1
InChIInChI=1S/C8H9N5O2S/c1-14-6-10-5(11-7(13-6)15-2)12-8-9-3-4-16-8/h3-4H,1-2H3,(H,9,10,11,12,13)
InChIKeyKAZABAFGQOZOJK-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.09
Rot. Bonds4

About N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine

N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine (PubChem CID 14772206) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine
PubChem CID14772206
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1nc(Nc2nccs2)nc(OC)n1
InChIInChI=1S/C8H9N5O2S/c1-14-6-10-5(11-7(13-6)15-2)12-8-9-3-4-16-8/h3-4H,1-2H3,(H,9,10,11,12,13)
InChIKeyKAZABAFGQOZOJK-UHFFFAOYSA-N
XLogP1.09
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine (CID 14772206) is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine is COc1nc(Nc2nccs2)nc(OC)n1.
What is the InChIKey of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is KAZABAFGQOZOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-14-6-10-5(11-7(13-6)15-2)12-8-9-3-4-16-8/h3-4H,1-2H3,(H,9,10,11,12,13).
What are the key properties of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine?
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 239.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 14772206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).