4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide

C14H15BrN2O2S — CID 77068888

IUPAC4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
SMILESCc1cc(C(N)=NO)cc(C)c1OCc1sccc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-8-5-10(14(16)17-18)6-9(2)13(8)19-7-12-11(15)3-4-20-12/h3-6,18H,7H2,1-2H3,(H2,16,17)
InChIKeyXSUUGGSMODNUCM-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.80
Rot. Bonds4

About 4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide

4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide (PubChem CID 77068888) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
PubChem CID77068888
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
SMILESCc1cc(C(N)=NO)cc(C)c1OCc1sccc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-8-5-10(14(16)17-18)6-9(2)13(8)19-7-12-11(15)3-4-20-12/h3-6,18H,7H2,1-2H3,(H2,16,17)
InChIKeyXSUUGGSMODNUCM-UHFFFAOYSA-N
XLogP3.80
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide 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

3-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567546
3-[(3-bromothiophen-2-yl)methoxy]-4-methylbenzenecarbothioamide
CID 107656451
4-[(3-bromothiophen-2-yl)methoxy]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 102724403
4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 80695553
N-[1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77003640
3-bromo-2-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]thiophene
CID 79844968
N'-hydroxy-4-methoxy-3,5-dimethylbenzenecarboximidamide
CID 65470982
4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068953
4-[(2,4-dibromophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483303
ethyl 4-[(3-bromothiophen-2-yl)methoxy]benzoate
CID 65019528
4-[(3-bromothiophen-2-yl)methoxy]-3-fluorobenzenecarbothioamide
CID 107665954
3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656922

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
The IUPAC name of 4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide (CID 77068888) is 4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide is Cc1cc(C(N)=NO)cc(C)c1OCc1sccc1Br.
What is the InChIKey of 4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
The InChIKey is XSUUGGSMODNUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-8-5-10(14(16)17-18)6-9(2)13(8)19-7-12-11(15)3-4-20-12/h3-6,18H,7H2,1-2H3,(H2,16,17).
What are the key properties of 4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide has a molecular weight of 355.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 77068888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).