4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine

C9H11N5OS — CID 79820066

IUPAC4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Cc2nccs2)n1
InChIInChI=1S/C9H11N5OS/c1-2-15-9-13-6(12-8(10)14-9)5-7-11-3-4-16-7/h3-4H,2,5H2,1H3,(H2,10,12,13,14)
InChIKeyNIJHYNZSPXXWKE-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.90
Rot. Bonds4

About 4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine

4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 79820066) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID79820066
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Cc2nccs2)n1
InChIInChI=1S/C9H11N5OS/c1-2-15-9-13-6(12-8(10)14-9)5-7-11-3-4-16-7/h3-4H,2,5H2,1H3,(H2,10,12,13,14)
InChIKeyNIJHYNZSPXXWKE-UHFFFAOYSA-N
XLogP0.90
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine (CID 79820066) is 4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(Cc2nccs2)n1.
What is the InChIKey of 4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is NIJHYNZSPXXWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-2-15-9-13-6(12-8(10)14-9)5-7-11-3-4-16-7/h3-4H,2,5H2,1H3,(H2,10,12,13,14).
What are the key properties of 4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine?
4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 237.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79820066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).