3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea

C10H15BrN2OS — CID 78986182

IUPAC3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCc1sccc1Br
InChIInChI=1S/C10H15BrN2OS/c1-3-13(4-2)10(14)12-7-9-8(11)5-6-15-9/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyUVDLDFLJBADQHI-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.06
Rot. Bonds4

About 3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea

3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea (PubChem CID 78986182) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
PubChem CID78986182
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCc1sccc1Br
InChIInChI=1S/C10H15BrN2OS/c1-3-13(4-2)10(14)12-7-9-8(11)5-6-15-9/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyUVDLDFLJBADQHI-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromothiophen-2-yl)methylamino]-N,N-diethylpropanamide
CID 115380150
N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 78985898
N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 78986100
N-[(3-bromothiophen-2-yl)methyl]-3-methylbut-2-enamide
CID 78986047
3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 113460610
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953
3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 81079533
(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride
CID 119309779
N-[(3-bromothiophen-2-yl)methyl]-2-cyanopropanamide
CID 78996324
N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 103632444
N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
CID 103859682
N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 78986110

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea?
The IUPAC name of 3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea (CID 78986182) is 3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea.
What is the SMILES notation for 3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea?
The canonical SMILES for 3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea is CCN(CC)C(=O)NCc1sccc1Br.
What is the InChIKey of 3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea?
The InChIKey is UVDLDFLJBADQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-3-13(4-2)10(14)12-7-9-8(11)5-6-15-9/h5-6H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of 3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea?
3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea has a molecular weight of 291.21 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea is sourced from PubChem (CID 78986182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).