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

C14H17N3O2S — CID 91630690

IUPAC1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
SMILESCOCCNC(=O)NCc1cncc(-c2cccs2)c1
InChIInChI=1S/C14H17N3O2S/c1-19-5-4-16-14(18)17-9-11-7-12(10-15-8-11)13-3-2-6-20-13/h2-3,6-8,10H,4-5,9H2,1H3,(H2,16,17,18)
InChIKeyXHNOGVTXCBALAB-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.26
Rot. Bonds6

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

1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea (PubChem CID 91630690) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
PubChem CID91630690
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
SMILESCOCCNC(=O)NCc1cncc(-c2cccs2)c1
InChIInChI=1S/C14H17N3O2S/c1-19-5-4-16-14(18)17-9-11-7-12(10-15-8-11)13-3-2-6-20-13/h2-3,6-8,10H,4-5,9H2,1H3,(H2,16,17,18)
InChIKeyXHNOGVTXCBALAB-UHFFFAOYSA-N
XLogP2.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 91630693
4-tert-butyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 91630658
2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide
CID 91630595
N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
CID 91817311
N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690068
N-propyl-5-thiophen-2-ylpyridine-3-carboxamide
CID 117083319
1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 122162911
2-methoxy-5-[(5-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]benzamide
CID 91630724
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 122246918
N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 42821209
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91630702

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea (CID 91630690) is 1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea is COCCNC(=O)NCc1cncc(-c2cccs2)c1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea?
The InChIKey is XHNOGVTXCBALAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-19-5-4-16-14(18)17-9-11-7-12(10-15-8-11)13-3-2-6-20-13/h2-3,6-8,10H,4-5,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea?
1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea has a molecular weight of 291.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 91630690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).