[3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea

C13H20N4O2S — CID 119578761

IUPAC[3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea
SMILESCC1CN(C(=O)CC(NC(N)=O)c2cccs2)CCN1
InChIInChI=1S/C13H20N4O2S/c1-9-8-17(5-4-15-9)12(18)7-10(16-13(14)19)11-3-2-6-20-11/h2-3,6,9-10,15H,4-5,7-8H2,1H3,(H3,14,16,19)
InChIKeyUSFQOAOHIMQUGU-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.67
Rot. Bonds4

About [3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea

[3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea (PubChem CID 119578761) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is [3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name[3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea
PubChem CID119578761
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name[3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea
SMILESCC1CN(C(=O)CC(NC(N)=O)c2cccs2)CCN1
InChIInChI=1S/C13H20N4O2S/c1-9-8-17(5-4-15-9)12(18)7-10(16-13(14)19)11-3-2-6-20-11/h2-3,6,9-10,15H,4-5,7-8H2,1H3,(H3,14,16,19)
InChIKeyUSFQOAOHIMQUGU-UHFFFAOYSA-N
XLogP0.67
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]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

[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxo-1-thiophen-2-ylpropyl]urea
CID 119637409
[3-(2-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea;hydrochloride
CID 119471960
3-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 71510824
4-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 55971367
N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 94017783
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 43422177
3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide
CID 119443018
(2R)-1-[(3S)-3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
CID 125118766
N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 119580068
1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one
CID 122147864
(3R)-3-(2-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 124591145
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea?
The IUPAC name of [3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea (CID 119578761) is [3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea.
What is the SMILES notation for [3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea?
The canonical SMILES for [3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea is CC1CN(C(=O)CC(NC(N)=O)c2cccs2)CCN1.
What is the InChIKey of [3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea?
The InChIKey is USFQOAOHIMQUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9-8-17(5-4-15-9)12(18)7-10(16-13(14)19)11-3-2-6-20-11/h2-3,6,9-10,15H,4-5,7-8H2,1H3,(H3,14,16,19).
What are the key properties of [3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea?
[3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea has a molecular weight of 296.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 119578761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).