1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea

C12H14N2O3S — CID 71798413

IUPAC1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC(O)c1ccoc1
InChIInChI=1S/C12H14N2O3S/c15-11(9-3-4-17-8-9)7-14-12(16)13-6-10-2-1-5-18-10/h1-5,8,11,15H,6-7H2,(H2,13,14,16)
InChIKeyCAIUJJQZJGFSQD-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.87
Rot. Bonds5

About 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71798413) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71798413
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC(O)c1ccoc1
InChIInChI=1S/C12H14N2O3S/c15-11(9-3-4-17-8-9)7-14-12(16)13-6-10-2-1-5-18-10/h1-5,8,11,15H,6-7H2,(H2,13,14,16)
InChIKeyCAIUJJQZJGFSQD-UHFFFAOYSA-N
XLogP1.87
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea (CID 71798413) is 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NCC(O)c1ccoc1.
What is the InChIKey of 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is CAIUJJQZJGFSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-11(9-3-4-17-8-9)7-14-12(16)13-6-10-2-1-5-18-10/h1-5,8,11,15H,6-7H2,(H2,13,14,16).
What are the key properties of 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 266.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71798413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).