1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one

C12H18N2OS — CID 115371014

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one
SMILESCc1cc(C(C)N2CCCNC2=O)c(C)s1
InChIInChI=1S/C12H18N2OS/c1-8-7-11(10(3)16-8)9(2)14-6-4-5-13-12(14)15/h7,9H,4-6H2,1-3H3,(H,13,15)
InChIKeyRNAFXUGQGOHPGM-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.84
Rot. Bonds2

About 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one (PubChem CID 115371014) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one
PubChem CID115371014
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one
SMILESCc1cc(C(C)N2CCCNC2=O)c(C)s1
InChIInChI=1S/C12H18N2OS/c1-8-7-11(10(3)16-8)9(2)14-6-4-5-13-12(14)15/h7,9H,4-6H2,1-3H3,(H,13,15)
InChIKeyRNAFXUGQGOHPGM-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one (CID 115371014) is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one is Cc1cc(C(C)N2CCCNC2=O)c(C)s1.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one?
The InChIKey is RNAFXUGQGOHPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8-7-11(10(3)16-8)9(2)14-6-4-5-13-12(14)15/h7,9H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one?
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one has a molecular weight of 238.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 115371014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).