1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea

C16H15N3O2S — CID 122162911

IUPAC1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cncc(-c2ccoc2)c1)NCc1cccs1
InChIInChI=1S/C16H15N3O2S/c20-16(19-10-15-2-1-5-22-15)18-8-12-6-14(9-17-7-12)13-3-4-21-11-13/h1-7,9,11H,8,10H2,(H2,18,19,20)
InChIKeyWSHJLPYGXLGANH-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.40
Rot. Bonds5

About 1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea

1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 122162911) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID122162911
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cncc(-c2ccoc2)c1)NCc1cccs1
InChIInChI=1S/C16H15N3O2S/c20-16(19-10-15-2-1-5-22-15)18-8-12-6-14(9-17-7-12)13-3-4-21-11-13/h1-7,9,11H,8,10H2,(H2,18,19,20)
InChIKeyWSHJLPYGXLGANH-UHFFFAOYSA-N
XLogP3.40
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 122246918
1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 122244847
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide
CID 119106237
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide
CID 119106241
1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 91630690
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate
CID 119106258
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119106238
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
(E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 121196988
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 60572861
[3-(furan-3-yl)phenyl]methylcarbamic acid
CID 86653352

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea (CID 122162911) is 1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cncc(-c2ccoc2)c1)NCc1cccs1.
What is the InChIKey of 1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is WSHJLPYGXLGANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-16(19-10-15-2-1-5-22-15)18-8-12-6-14(9-17-7-12)13-3-4-21-11-13/h1-7,9,11H,8,10H2,(H2,18,19,20).
What are the key properties of 1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea?
1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 313.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 122162911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).