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

C11H12N2O3S — CID 71798410

IUPAC1-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
SMILESO=C(NCC(O)c1ccoc1)Nc1cccs1
InChIInChI=1S/C11H12N2O3S/c14-9(8-3-4-16-7-8)6-12-11(15)13-10-2-1-5-17-10/h1-5,7,9,14H,6H2,(H2,12,13,15)
InChIKeyZKFWUUCZHFECDM-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.20
Rot. Bonds4

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

1-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea (PubChem CID 71798410) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
PubChem CID71798410
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name1-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
SMILESO=C(NCC(O)c1ccoc1)Nc1cccs1
InChIInChI=1S/C11H12N2O3S/c14-9(8-3-4-16-7-8)6-12-11(15)13-10-2-1-5-17-10/h1-5,7,9,14H,6H2,(H2,12,13,15)
InChIKeyZKFWUUCZHFECDM-UHFFFAOYSA-N
XLogP2.20
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.20
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-ylurea?
The IUPAC name of 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea (CID 71798410) is 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea is O=C(NCC(O)c1ccoc1)Nc1cccs1.
What is the InChIKey of 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea?
The InChIKey is ZKFWUUCZHFECDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c14-9(8-3-4-16-7-8)6-12-11(15)13-10-2-1-5-17-10/h1-5,7,9,14H,6H2,(H2,12,13,15).
What are the key properties of 1-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea?
1-[2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea has a molecular weight of 252.30 g/mol, XLogP of 2.20, 4 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-ylurea is sourced from PubChem (CID 71798410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).