1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea

C13H15N3O2S — CID 118740654

IUPAC1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea
SMILESCN(Cc1ccsc1)C(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C13H15N3O2S/c1-15-8-11(3-4-12(15)17)14-13(18)16(2)7-10-5-6-19-9-10/h3-6,8-9H,7H2,1-2H3,(H,14,18)
InChIKeyLKNJWNCSNCLTPA-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.11
Rot. Bonds3

About 1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea

1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea (PubChem CID 118740654) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea
PubChem CID118740654
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea
SMILESCN(Cc1ccsc1)C(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C13H15N3O2S/c1-15-8-11(3-4-12(15)17)14-13(18)16(2)7-10-5-6-19-9-10/h3-6,8-9H,7H2,1-2H3,(H,14,18)
InChIKeyLKNJWNCSNCLTPA-UHFFFAOYSA-N
XLogP2.11
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea (CID 118740654) is 1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea is CN(Cc1ccsc1)C(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea?
The InChIKey is LKNJWNCSNCLTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-15-8-11(3-4-12(15)17)14-13(18)16(2)7-10-5-6-19-9-10/h3-6,8-9H,7H2,1-2H3,(H,14,18).
What are the key properties of 1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea?
1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea has a molecular weight of 277.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 118740654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).