1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea

C15H13N3O2S — CID 91816080

IUPAC1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea
SMILESO=C(NCc1ccc(-c2ccco2)nc1)Nc1cccs1
InChIInChI=1S/C15H13N3O2S/c19-15(18-14-4-2-8-21-14)17-10-11-5-6-12(16-9-11)13-3-1-7-20-13/h1-9H,10H2,(H2,17,18,19)
InChIKeyFQIDERZHEIXKOH-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.72
Rot. Bonds4

About 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea

1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea (PubChem CID 91816080) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea
PubChem CID91816080
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea
SMILESO=C(NCc1ccc(-c2ccco2)nc1)Nc1cccs1
InChIInChI=1S/C15H13N3O2S/c19-15(18-14-4-2-8-21-14)17-10-11-5-6-12(16-9-11)13-3-1-7-20-13/h1-9H,10H2,(H2,17,18,19)
InChIKeyFQIDERZHEIXKOH-UHFFFAOYSA-N
XLogP3.72
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea with MolForge

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Related Compounds

N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 91625527
1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 91625575
1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 91625574
1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea
CID 91625580
1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea
CID 108889261
1-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylurea
CID 163347249
1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea
CID 121133668
1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea
CID 99872776
1-(2-hydroxypropyl)-3-thiophen-2-ylurea
CID 117235204
5-(furan-2-yl)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 122162680
1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 95986779
N-[3-(furan-2-yl)-1,2-oxazol-5-yl]thiophene-2-carboxamide
CID 53143213

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea (CID 91816080) is 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea is O=C(NCc1ccc(-c2ccco2)nc1)Nc1cccs1.
What is the InChIKey of 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea?
The InChIKey is FQIDERZHEIXKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-15(18-14-4-2-8-21-14)17-10-11-5-6-12(16-9-11)13-3-1-7-20-13/h1-9H,10H2,(H2,17,18,19).
What are the key properties of 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea?
1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea has a molecular weight of 299.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 91816080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).