1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

C15H18N4OS — CID 122143288

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC(NC(=O)NC1CSc2ccccc21)c1cnn(C)c1
InChIInChI=1S/C15H18N4OS/c1-10(11-7-16-19(2)8-11)17-15(20)18-13-9-21-14-6-4-3-5-12(13)14/h3-8,10,13H,9H2,1-2H3,(H2,17,18,20)
InChIKeyLLGJHSSVJPOTHY-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.63
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 122143288) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID122143288
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC(NC(=O)NC1CSc2ccccc21)c1cnn(C)c1
InChIInChI=1S/C15H18N4OS/c1-10(11-7-16-19(2)8-11)17-15(20)18-13-9-21-14-6-4-3-5-12(13)14/h3-8,10,13H,9H2,1-2H3,(H2,17,18,20)
InChIKeyLLGJHSSVJPOTHY-UHFFFAOYSA-N
XLogP2.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (CID 122143288) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is CC(NC(=O)NC1CSc2ccccc21)c1cnn(C)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is LLGJHSSVJPOTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10(11-7-16-19(2)8-11)17-15(20)18-13-9-21-14-6-4-3-5-12(13)14/h3-8,10,13H,9H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 302.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 122143288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).