4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine

C12H10N4OS — CID 117084599

IUPAC4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2csc3ccccc23)n1
InChIInChI=1S/C12H10N4OS/c1-17-12-15-10(14-11(13)16-12)8-6-18-9-5-3-2-4-7(8)9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyLFKULZBAHUDNSA-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.34
Rot. Bonds2

About 4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine

4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 117084599) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID117084599
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2csc3ccccc23)n1
InChIInChI=1S/C12H10N4OS/c1-17-12-15-10(14-11(13)16-12)8-6-18-9-5-3-2-4-7(8)9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyLFKULZBAHUDNSA-UHFFFAOYSA-N
XLogP2.34
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine (CID 117084599) is 4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(-c2csc3ccccc23)n1.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is LFKULZBAHUDNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-17-12-15-10(14-11(13)16-12)8-6-18-9-5-3-2-4-7(8)9/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine?
4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 258.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 117084599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).