4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine

C18H25N5O2S — CID 133363651

IUPAC4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine
SMILESCOc1nc(N2CCCCCC2)nc(N2CCOC(c3cccs3)C2)n1
InChIInChI=1S/C18H25N5O2S/c1-24-18-20-16(22-8-4-2-3-5-9-22)19-17(21-18)23-10-11-25-14(13-23)15-7-6-12-26-15/h6-7,12,14H,2-5,8-11,13H2,1H3
InChIKeyXKAPVSPMXLLXRG-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.90
Rot. Bonds4

About 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine

4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine (PubChem CID 133363651) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine
PubChem CID133363651
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine
SMILESCOc1nc(N2CCCCCC2)nc(N2CCOC(c3cccs3)C2)n1
InChIInChI=1S/C18H25N5O2S/c1-24-18-20-16(22-8-4-2-3-5-9-22)19-17(21-18)23-10-11-25-14(13-23)15-7-6-12-26-15/h6-7,12,14H,2-5,8-11,13H2,1H3
InChIKeyXKAPVSPMXLLXRG-UHFFFAOYSA-N
XLogP2.90
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine with MolForge

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Related Compounds

2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 133363523
2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine
CID 124865996
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine
CID 133363593
methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
CID 133420343
4-(6-propan-2-yloxypyrazin-2-yl)-2-thiophen-2-ylmorpholine
CID 133491544
2-thiophen-2-ylmorpholin-4-amine
CID 82280994
4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine
CID 133363568
4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-thiophen-2-ylmorpholine
CID 133491539
4-[2-(methoxymethyl)-4-nitrophenyl]-2-thiophen-2-ylmorpholine
CID 133363702
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 67190024
4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one
CID 133363707
4-thieno[2,3-d]pyrimidin-4-yl-2-thiophen-2-ylmorpholine
CID 133363726

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine?
The IUPAC name of 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine (CID 133363651) is 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine?
The canonical SMILES for 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine is COc1nc(N2CCCCCC2)nc(N2CCOC(c3cccs3)C2)n1.
What is the InChIKey of 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine?
The InChIKey is XKAPVSPMXLLXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-24-18-20-16(22-8-4-2-3-5-9-22)19-17(21-18)23-10-11-25-14(13-23)15-7-6-12-26-15/h6-7,12,14H,2-5,8-11,13H2,1H3.
What are the key properties of 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine?
4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine has a molecular weight of 375.50 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 133363651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).