[(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea

C6H5BrClN3OS — CID 102844804

IUPAC[(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(Br)c(Cl)s1
InChIInChI=1S/C6H5BrClN3OS/c7-4-1-3(13-5(4)8)2-10-11-6(9)12/h1-2H,(H3,9,11,12)
InChIKeyUPYPFEBCDFEDDV-UHFFFAOYSA-N
MW282.55 g/mol
LogP2.17
Rot. Bonds2

About [(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea

[(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea (PubChem CID 102844804) has the molecular formula C6H5BrClN3OS and a molecular weight of 282.55 g/mol. Its IUPAC name is [(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea
PubChem CID102844804
Molecular FormulaC6H5BrClN3OS
Molecular Weight282.55 g/mol
Exact Mass280.90
IUPAC Name[(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(Br)c(Cl)s1
InChIInChI=1S/C6H5BrClN3OS/c7-4-1-3(13-5(4)8)2-10-11-6(9)12/h1-2H,(H3,9,11,12)
InChIKeyUPYPFEBCDFEDDV-UHFFFAOYSA-N
XLogP2.17
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.55
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea
CID 679383
[(4-bromothiophen-2-yl)methylideneamino]urea
CID 759069
[(4-bromo-2-chlorophenyl)methylideneamino]urea
CID 137318192
[(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea
CID 6271003
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[(3-bromo-4-chloro-2-fluorophenyl)methylideneamino]urea
CID 168533678
[(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea
CID 154707892
[(2-bromo-5-fluoro-4-iodophenyl)methylideneamino]urea
CID 168534076
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
CID 168532506
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea?
The IUPAC name of [(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea (CID 102844804) is [(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea.
What is the SMILES notation for [(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea?
The canonical SMILES for [(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea is NC(=O)NN=Cc1cc(Br)c(Cl)s1.
What is the InChIKey of [(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea?
The InChIKey is UPYPFEBCDFEDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN3OS/c7-4-1-3(13-5(4)8)2-10-11-6(9)12/h1-2H,(H3,9,11,12).
What are the key properties of [(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea?
[(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea has a molecular weight of 282.55 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea is sourced from PubChem (CID 102844804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).