2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol

C14H14N4O2S — CID 117087827

IUPAC2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1nc(NCCO)nc(-c2csc3ccccc23)n1
InChIInChI=1S/C14H14N4O2S/c1-20-14-17-12(16-13(18-14)15-6-7-19)10-8-21-11-5-3-2-4-9(10)11/h2-5,8,19H,6-7H2,1H3,(H,15,16,17,18)
InChIKeyBBUVSJZQAVOPLF-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.17
Rot. Bonds5

About 2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 117087827) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID117087827
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1nc(NCCO)nc(-c2csc3ccccc23)n1
InChIInChI=1S/C14H14N4O2S/c1-20-14-17-12(16-13(18-14)15-6-7-19)10-8-21-11-5-3-2-4-9(10)11/h2-5,8,19H,6-7H2,1H3,(H,15,16,17,18)
InChIKeyBBUVSJZQAVOPLF-UHFFFAOYSA-N
XLogP2.17
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol (CID 117087827) is 2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol is COc1nc(NCCO)nc(-c2csc3ccccc23)n1.
What is the InChIKey of 2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is BBUVSJZQAVOPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-20-14-17-12(16-13(18-14)15-6-7-19)10-8-21-11-5-3-2-4-9(10)11/h2-5,8,19H,6-7H2,1H3,(H,15,16,17,18).
What are the key properties of 2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 302.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 117087827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).