1-[(4-bromothiophen-2-yl)methyl]-1-methylurea

C7H9BrN2OS — CID 61059409

IUPAC1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
SMILESCN(Cc1cc(Br)cs1)C(N)=O
InChIInChI=1S/C7H9BrN2OS/c1-10(7(9)11)3-6-2-5(8)4-12-6/h2,4H,3H2,1H3,(H2,9,11)
InChIKeyQQSIBIINNFSJLV-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.02
Rot. Bonds2

About 1-[(4-bromothiophen-2-yl)methyl]-1-methylurea

1-[(4-bromothiophen-2-yl)methyl]-1-methylurea (PubChem CID 61059409) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
PubChem CID61059409
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
SMILESCN(Cc1cc(Br)cs1)C(N)=O
InChIInChI=1S/C7H9BrN2OS/c1-10(7(9)11)3-6-2-5(8)4-12-6/h2,4H,3H2,1H3,(H2,9,11)
InChIKeyQQSIBIINNFSJLV-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 114328199
1-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-1-methylguanidine
CID 76944247
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanediamide
CID 54872226
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
N-[(4-bromothiophen-2-yl)methyl]-N-methylbut-2-ynamide
CID 107987924
2-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-methylamino]acetic acid
CID 54984285
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 81087845
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide
CID 106112087
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 55028858
(2E,4E)-N-[(4-bromothiophen-2-yl)methyl]-N-methylhexa-2,4-dienamide
CID 55028857
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-1-methylurea?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-1-methylurea (CID 61059409) is 1-[(4-bromothiophen-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-1-methylurea?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-1-methylurea is CN(Cc1cc(Br)cs1)C(N)=O.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-1-methylurea?
The InChIKey is QQSIBIINNFSJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c1-10(7(9)11)3-6-2-5(8)4-12-6/h2,4H,3H2,1H3,(H2,9,11).
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-1-methylurea?
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea has a molecular weight of 249.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 61059409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).