1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea

C15H19N3OS — CID 62844444

IUPAC1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea
SMILESCC(N)c1cccc(NC(=O)NC(C)c2ccsc2)c1
InChIInChI=1S/C15H19N3OS/c1-10(16)12-4-3-5-14(8-12)18-15(19)17-11(2)13-6-7-20-9-13/h3-11H,16H2,1-2H3,(H2,17,18,19)
InChIKeyDOVPDZIQPQHKPS-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.65
Rot. Bonds4

About 1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea

1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea (PubChem CID 62844444) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea
PubChem CID62844444
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea
SMILESCC(N)c1cccc(NC(=O)NC(C)c2ccsc2)c1
InChIInChI=1S/C15H19N3OS/c1-10(16)12-4-3-5-14(8-12)18-15(19)17-11(2)13-6-7-20-9-13/h3-11H,16H2,1-2H3,(H2,17,18,19)
InChIKeyDOVPDZIQPQHKPS-UHFFFAOYSA-N
XLogP3.65
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 61340581
2-chloro-4-(1-thiophen-3-ylethylcarbamoylamino)benzoic acid
CID 62842850
1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea
CID 61341307
1-[3-(1-aminoethyl)phenyl]-3-(6-methylheptan-2-yl)urea
CID 61471630
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid
CID 62844073
2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide
CID 61341683
1-[3-(1-aminoethyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 61342211
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339473
N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide
CID 97323196
3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 80552244

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea (CID 62844444) is 1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea is CC(N)c1cccc(NC(=O)NC(C)c2ccsc2)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea?
The InChIKey is DOVPDZIQPQHKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(16)12-4-3-5-14(8-12)18-15(19)17-11(2)13-6-7-20-9-13/h3-11H,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea?
1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea has a molecular weight of 289.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea is sourced from PubChem (CID 62844444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).