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

C11H16N2OS — CID 115371002

IUPAC1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one
SMILESCc1ccc(C(C)N2CCCNC2=O)s1
InChIInChI=1S/C11H16N2OS/c1-8-4-5-10(15-8)9(2)13-7-3-6-12-11(13)14/h4-5,9H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyFCRLDWPZWQFJDK-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.53
Rot. Bonds2

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

1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one (PubChem CID 115371002) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one
PubChem CID115371002
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one
SMILESCc1ccc(C(C)N2CCCNC2=O)s1
InChIInChI=1S/C11H16N2OS/c1-8-4-5-10(15-8)9(2)13-7-3-6-12-11(13)14/h4-5,9H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyFCRLDWPZWQFJDK-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one (CID 115371002) is 1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one is Cc1ccc(C(C)N2CCCNC2=O)s1.
What is the InChIKey of 1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one?
The InChIKey is FCRLDWPZWQFJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-4-5-10(15-8)9(2)13-7-3-6-12-11(13)14/h4-5,9H,3,6-7H2,1-2H3,(H,12,14).
What are the key properties of 1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one?
1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one has a molecular weight of 224.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 115371002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).