1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea

C12H21N3OS — CID 108889188

IUPAC1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea
SMILESCCN(CC)CCCNC(=O)Nc1cccs1
InChIInChI=1S/C12H21N3OS/c1-3-15(4-2)9-6-8-13-12(16)14-11-7-5-10-17-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H2,13,14,16)
InChIKeySZPRUZDVQPKQLD-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.60
Rot. Bonds7

About 1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea

1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea (PubChem CID 108889188) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea
PubChem CID108889188
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea
SMILESCCN(CC)CCCNC(=O)Nc1cccs1
InChIInChI=1S/C12H21N3OS/c1-3-15(4-2)9-6-8-13-12(16)14-11-7-5-10-17-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H2,13,14,16)
InChIKeySZPRUZDVQPKQLD-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea
CID 110706816
2-[3-(diethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 63113433
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
1-(2-chloro-6-fluorophenyl)-3-[3-(diethylamino)propyl]urea
CID 108896533
1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride
CID 21153854
1-(2-hydroxypropyl)-3-thiophen-2-ylurea
CID 117235204
1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
CID 3669043
1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
CID 108889167
N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 78793932
1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea
CID 7615961
2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115666347
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea (CID 108889188) is 1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea is CCN(CC)CCCNC(=O)Nc1cccs1.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea?
The InChIKey is SZPRUZDVQPKQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-15(4-2)9-6-8-13-12(16)14-11-7-5-10-17-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea?
1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea has a molecular weight of 255.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 108889188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).