1-[(5-bromothiophen-2-yl)methyl]-3-propylurea

C9H13BrN2OS — CID 47218768

IUPAC1-[(5-bromothiophen-2-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C9H13BrN2OS/c1-2-5-11-9(13)12-6-7-3-4-8(10)14-7/h3-4H,2,5-6H2,1H3,(H2,11,12,13)
InChIKeyNJESEUAGWWUUCT-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.72
Rot. Bonds4

About 1-[(5-bromothiophen-2-yl)methyl]-3-propylurea

1-[(5-bromothiophen-2-yl)methyl]-3-propylurea (PubChem CID 47218768) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-3-propylurea
PubChem CID47218768
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C9H13BrN2OS/c1-2-5-11-9(13)12-6-7-3-4-8(10)14-7/h3-4H,2,5-6H2,1H3,(H2,11,12,13)
InChIKeyNJESEUAGWWUUCT-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(5-bromothiophen-2-yl)methyl]-3-propylurea 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

N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-ethylbutanoic acid
CID 79804249
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 18073219
3-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-methoxypropanoic acid
CID 106110225
2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide
CID 61265834
1-[2-(1-benzothiophen-3-yl)ethyl]-3-[(5-bromothiophen-2-yl)methyl]urea
CID 112837876
ethyl 3-[(5-bromothiophen-2-yl)methylamino]-3-oxopropanoate
CID 115138552
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide;hydrochloride
CID 91663076
3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]propanoic acid
CID 106005623
4-[(5-bromothiophen-2-yl)methylamino]butan-2-one
CID 115235637

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3-propylurea (CID 47218768) is 1-[(5-bromothiophen-2-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-3-propylurea is CCCNC(=O)NCc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-3-propylurea?
The InChIKey is NJESEUAGWWUUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-2-5-11-9(13)12-6-7-3-4-8(10)14-7/h3-4H,2,5-6H2,1H3,(H2,11,12,13).
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-3-propylurea?
1-[(5-bromothiophen-2-yl)methyl]-3-propylurea has a molecular weight of 277.19 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-3-propylurea is sourced from PubChem (CID 47218768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).