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

C8H10BrN3OS — CID 679383

IUPAC[(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea
SMILESCCc1sc(C=NNC(N)=O)cc1Br
InChIInChI=1S/C8H10BrN3OS/c1-2-7-6(9)3-5(14-7)4-11-12-8(10)13/h3-4H,2H2,1H3,(H3,10,12,13)
InChIKeyXJQPHULAQYZRPL-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.08
Rot. Bonds3

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

[(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea (PubChem CID 679383) has the molecular formula C8H10BrN3OS and a molecular weight of 276.16 g/mol. Its IUPAC name is [(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea
PubChem CID679383
Molecular FormulaC8H10BrN3OS
Molecular Weight276.16 g/mol
Exact Mass274.97
IUPAC Name[(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea
SMILESCCc1sc(C=NNC(N)=O)cc1Br
InChIInChI=1S/C8H10BrN3OS/c1-2-7-6(9)3-5(14-7)4-11-12-8(10)13/h3-4H,2H2,1H3,(H3,10,12,13)
InChIKeyXJQPHULAQYZRPL-UHFFFAOYSA-N
XLogP2.08
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.08
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-chlorothiophen-2-yl)methylideneamino]urea
CID 102844804
[(4-bromothiophen-2-yl)methylideneamino]urea
CID 759069
[(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea
CID 6271003
[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]urea
CID 135851177
4-bromo-5-ethyl-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
CID 171131019
2-(2-bromophenoxy)-N-[(5-ethyl-4-nitrothiophen-2-yl)methylideneamino]acetamide
CID 1271116
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
[(Z)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]urea
CID 126002556
[(E)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 19617603
2-[5-bromo-4-[(Z)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]acetic acid
CID 19655705
2-[5-bromo-4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]acetic acid
CID 19578401
[(5-bromo-2-hexoxyphenyl)methylideneamino]urea
CID 168531991

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea?
The IUPAC name of [(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea (CID 679383) is [(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea.
What is the SMILES notation for [(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea?
The canonical SMILES for [(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea is CCc1sc(C=NNC(N)=O)cc1Br.
What is the InChIKey of [(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea?
The InChIKey is XJQPHULAQYZRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3OS/c1-2-7-6(9)3-5(14-7)4-11-12-8(10)13/h3-4H,2H2,1H3,(H3,10,12,13).
What are the key properties of [(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea?
[(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea has a molecular weight of 276.16 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea is sourced from PubChem (CID 679383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).