1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea

C15H16N4OS2 — CID 86266401

IUPAC1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1ccc(-c2ccsc2)n1)NCc1cccs1
InChIInChI=1S/C15H16N4OS2/c20-15(17-10-13-2-1-8-22-13)16-5-7-19-6-3-14(18-19)12-4-9-21-11-12/h1-4,6,8-9,11H,5,7,10H2,(H2,16,17,20)
InChIKeyKOOSJFUUPJNEGN-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.17
Rot. Bonds6

About 1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea

1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea (PubChem CID 86266401) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea
PubChem CID86266401
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC Name1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1ccc(-c2ccsc2)n1)NCc1cccs1
InChIInChI=1S/C15H16N4OS2/c20-15(17-10-13-2-1-8-22-13)16-5-7-19-6-3-14(18-19)12-4-9-21-11-12/h1-4,6,8-9,11H,5,7,10H2,(H2,16,17,20)
InChIKeyKOOSJFUUPJNEGN-UHFFFAOYSA-N
XLogP3.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea (CID 86266401) is 1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea is O=C(NCCn1ccc(-c2ccsc2)n1)NCc1cccs1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea?
The InChIKey is KOOSJFUUPJNEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS2/c20-15(17-10-13-2-1-8-22-13)16-5-7-19-6-3-14(18-19)12-4-9-21-11-12/h1-4,6,8-9,11H,5,7,10H2,(H2,16,17,20).
What are the key properties of 1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea?
1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea has a molecular weight of 332.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 86266401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).