5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one

C8H11N3OS — CID 23830026

IUPAC5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one
SMILESO=C1NCN(Cc2cccs2)CN1
InChIInChI=1S/C8H11N3OS/c12-8-9-5-11(6-10-8)4-7-2-1-3-13-7/h1-3H,4-6H2,(H2,9,10,12)
InChIKeyLAVQKFPVDLFYMS-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.78
Rot. Bonds2

About 5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one

5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one (PubChem CID 23830026) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one
PubChem CID23830026
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one
SMILESO=C1NCN(Cc2cccs2)CN1
InChIInChI=1S/C8H11N3OS/c12-8-9-5-11(6-10-8)4-7-2-1-3-13-7/h1-3H,4-6H2,(H2,9,10,12)
InChIKeyLAVQKFPVDLFYMS-UHFFFAOYSA-N
XLogP0.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
1-(thiophen-2-ylmethyl)piperazine
CID 566208
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64873649
5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60972638
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 78982831
1-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 650254
1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine
CID 139216002
5-chloro-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 166385574

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one?
The IUPAC name of 5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one (CID 23830026) is 5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one.
What is the SMILES notation for 5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one?
The canonical SMILES for 5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one is O=C1NCN(Cc2cccs2)CN1.
What is the InChIKey of 5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one?
The InChIKey is LAVQKFPVDLFYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c12-8-9-5-11(6-10-8)4-7-2-1-3-13-7/h1-3H,4-6H2,(H2,9,10,12).
What are the key properties of 5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one?
5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one has a molecular weight of 197.26 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one is sourced from PubChem (CID 23830026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).