1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea

C13H15N3OS — CID 47125534

IUPAC1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NCc1ccccn1)c1cccs1
InChIInChI=1S/C13H15N3OS/c1-10(12-6-4-8-18-12)16-13(17)15-9-11-5-2-3-7-14-11/h2-8,10H,9H2,1H3,(H2,15,16,17)
InChIKeyLUVFPZGRBGHOGX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.70
Rot. Bonds4

About 1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea

1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea (PubChem CID 47125534) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea
PubChem CID47125534
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NCc1ccccn1)c1cccs1
InChIInChI=1S/C13H15N3OS/c1-10(12-6-4-8-18-12)16-13(17)15-9-11-5-2-3-7-14-11/h2-8,10H,9H2,1H3,(H2,15,16,17)
InChIKeyLUVFPZGRBGHOGX-UHFFFAOYSA-N
XLogP2.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea (CID 47125534) is 1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea is CC(NC(=O)NCc1ccccn1)c1cccs1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea?
The InChIKey is LUVFPZGRBGHOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10(12-6-4-8-18-12)16-13(17)15-9-11-5-2-3-7-14-11/h2-8,10H,9H2,1H3,(H2,15,16,17).
What are the key properties of 1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea?
1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea has a molecular weight of 261.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 47125534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).