1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea

C16H15N3O2S — CID 52906818

IUPAC1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C16H15N3O2S/c20-16(18-15-7-4-10-22-15)19(12-14-6-3-9-21-14)11-13-5-1-2-8-17-13/h1-10H,11-12H2,(H,18,20)
InChIKeyKLXBWADHQNDZOO-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.97
Rot. Bonds5

About 1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea

1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea (PubChem CID 52906818) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea
PubChem CID52906818
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C16H15N3O2S/c20-16(18-15-7-4-10-22-15)19(12-14-6-3-9-21-14)11-13-5-1-2-8-17-13/h1-10H,11-12H2,(H,18,20)
InChIKeyKLXBWADHQNDZOO-UHFFFAOYSA-N
XLogP3.97
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea (CID 52906818) is 1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea is O=C(Nc1cccs1)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea?
The InChIKey is KLXBWADHQNDZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-16(18-15-7-4-10-22-15)19(12-14-6-3-9-21-14)11-13-5-1-2-8-17-13/h1-10H,11-12H2,(H,18,20).
What are the key properties of 1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea?
1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea has a molecular weight of 313.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 52906818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).