1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea

C13H23N3OS — CID 47133986

IUPAC1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C13H23N3OS/c1-10(2)8-14-13(17)15-9-11(16(3)4)12-6-5-7-18-12/h5-7,10-11H,8-9H2,1-4H3,(H2,14,15,17)
InChIKeyXOLVGIOQQZJAGE-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.31
Rot. Bonds6

About 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea

1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea (PubChem CID 47133986) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea
PubChem CID47133986
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C13H23N3OS/c1-10(2)8-14-13(17)15-9-11(16(3)4)12-6-5-7-18-12/h5-7,10-11H,8-9H2,1-4H3,(H2,14,15,17)
InChIKeyXOLVGIOQQZJAGE-UHFFFAOYSA-N
XLogP2.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)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-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea (CID 47133986) is 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea?
The InChIKey is XOLVGIOQQZJAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10(2)8-14-13(17)15-9-11(16(3)4)12-6-5-7-18-12/h5-7,10-11H,8-9H2,1-4H3,(H2,14,15,17).
What are the key properties of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea?
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea has a molecular weight of 269.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 47133986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).