1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea

C15H16N4O2S — CID 69069820

IUPAC1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea
SMILESO=C(NCCCO)Nc1n[nH]c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C15H16N4O2S/c20-6-1-5-16-15(21)17-14-12-3-2-10(8-13(12)18-19-14)11-4-7-22-9-11/h2-4,7-9,20H,1,5-6H2,(H3,16,17,18,19,21)
InChIKeyIRJKDQSDUMCKGM-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.80
Rot. Bonds5

About 1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea

1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea (PubChem CID 69069820) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea
PubChem CID69069820
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea
SMILESO=C(NCCCO)Nc1n[nH]c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C15H16N4O2S/c20-6-1-5-16-15(21)17-14-12-3-2-10(8-13(12)18-19-14)11-4-7-22-9-11/h2-4,7-9,20H,1,5-6H2,(H3,16,17,18,19,21)
InChIKeyIRJKDQSDUMCKGM-UHFFFAOYSA-N
XLogP2.80
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea (CID 69069820) is 1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea is O=C(NCCCO)Nc1n[nH]c2cc(-c3ccsc3)ccc12.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea?
The InChIKey is IRJKDQSDUMCKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c20-6-1-5-16-15(21)17-14-12-3-2-10(8-13(12)18-19-14)11-4-7-22-9-11/h2-4,7-9,20H,1,5-6H2,(H3,16,17,18,19,21).
What are the key properties of 1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea?
1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea has a molecular weight of 316.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea is sourced from PubChem (CID 69069820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).