2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine

C11H16N6OS — CID 80808269

IUPAC2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C11H16N6OS/c1-5-8(19-7(3)13-5)6(2)14-10-15-9(12)16-11(17-10)18-4/h6H,1-4H3,(H3,12,14,15,16,17)
InChIKeyNEIPXTANUAQQBU-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.71
Rot. Bonds4

About 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80808269) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80808269
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C11H16N6OS/c1-5-8(19-7(3)13-5)6(2)14-10-15-9(12)16-11(17-10)18-4/h6H,1-4H3,(H3,12,14,15,16,17)
InChIKeyNEIPXTANUAQQBU-UHFFFAOYSA-N
XLogP1.71
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80808269) is 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NC(C)c2sc(C)nc2C)n1.
What is the InChIKey of 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is NEIPXTANUAQQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-5-8(19-7(3)13-5)6(2)14-10-15-9(12)16-11(17-10)18-4/h6H,1-4H3,(H3,12,14,15,16,17).
What are the key properties of 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 280.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80808269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).