1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea

C13H15N3OS — CID 57132625

IUPAC1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc2scc(CC)c2n1
InChIInChI=1S/C13H15N3OS/c1-3-7-14-13(17)16-11-6-5-10-12(15-11)9(4-2)8-18-10/h3,5-6,8H,1,4,7H2,2H3,(H2,14,15,16,17)
InChIKeyULYSEFVXJRJFBS-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.17
Rot. Bonds4

About 1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea

1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea (PubChem CID 57132625) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea
PubChem CID57132625
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc2scc(CC)c2n1
InChIInChI=1S/C13H15N3OS/c1-3-7-14-13(17)16-11-6-5-10-12(15-11)9(4-2)8-18-10/h3,5-6,8H,1,4,7H2,2H3,(H2,14,15,16,17)
InChIKeyULYSEFVXJRJFBS-UHFFFAOYSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea
CID 108887387
1-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-prop-2-enylurea
CID 19601509
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
CID 46545817
1-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]-3-prop-2-enylurea
CID 18360687
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea
CID 47261966
2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
CID 87039150
1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea
CID 140514499
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea
CID 3866775
1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-prop-2-enylurea
CID 60620266
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
CID 38019423

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea (CID 57132625) is 1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc2scc(CC)c2n1.
What is the InChIKey of 1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea?
The InChIKey is ULYSEFVXJRJFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-7-14-13(17)16-11-6-5-10-12(15-11)9(4-2)8-18-10/h3,5-6,8H,1,4,7H2,2H3,(H2,14,15,16,17).
What are the key properties of 1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea?
1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea has a molecular weight of 261.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea is sourced from PubChem (CID 57132625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).