1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea

C6H7BrN2O2S — CID 19780456

IUPAC1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea
SMILESNC(=O)N(O)Cc1cscc1Br
InChIInChI=1S/C6H7BrN2O2S/c7-5-3-12-2-4(5)1-9(11)6(8)10/h2-3,11H,1H2,(H2,8,10)
InChIKeyWQFSCRAZRILENA-UHFFFAOYSA-N
MW251.10 g/mol
LogP1.78
Rot. Bonds2

About 1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea

1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea (PubChem CID 19780456) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.10 g/mol. Its IUPAC name is 1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea
PubChem CID19780456
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.10 g/mol
Exact Mass249.94
IUPAC Name1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea
SMILESNC(=O)N(O)Cc1cscc1Br
InChIInChI=1S/C6H7BrN2O2S/c7-5-3-12-2-4(5)1-9(11)6(8)10/h2-3,11H,1H2,(H2,8,10)
InChIKeyWQFSCRAZRILENA-UHFFFAOYSA-N
XLogP1.78
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-bromophenyl)methyl]-1-hydroxyurea
CID 19780436
3-bromo-4-(bromomethyl)thiophene
CID 13354759
methyl 2-(4-bromothiophen-3-yl)acetate
CID 130739135
N-[(4-bromothiophen-3-yl)methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166371972
1-hydroxy-1-[[3-(4-hydroxyphenyl)sulfanylthiophen-2-yl]methyl]urea
CID 19780512
4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide
CID 123206697
2-[(4-bromothiophen-3-yl)methylamino]-N-tert-butylpropanamide
CID 112739671
2-amino-1-(4-bromothiophen-3-yl)pentan-1-one
CID 116554721
4-amino-1-(4-bromothiophen-3-yl)pentan-1-one
CID 116571770
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 112739771

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea?
The IUPAC name of 1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea (CID 19780456) is 1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea?
The canonical SMILES for 1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea is NC(=O)N(O)Cc1cscc1Br.
What is the InChIKey of 1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea?
The InChIKey is WQFSCRAZRILENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/c7-5-3-12-2-4(5)1-9(11)6(8)10/h2-3,11H,1H2,(H2,8,10).
What are the key properties of 1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea?
1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea has a molecular weight of 251.10 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea is sourced from PubChem (CID 19780456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).