5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide

C11H10BrN3OS2 — CID 114893517

IUPAC5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide
SMILESCc1csc(Sc2ccc(Br)cc2/C(N)=N/O)n1
InChIInChI=1S/C11H10BrN3OS2/c1-6-5-17-11(14-6)18-9-3-2-7(12)4-8(9)10(13)15-16/h2-5,16H,1H3,(H2,13,15)
InChIKeyPHPWHZOJZOPXQB-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.46
Rot. Bonds3

About 5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide

5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide (PubChem CID 114893517) has the molecular formula C11H10BrN3OS2 and a molecular weight of 344.26 g/mol. Its IUPAC name is 5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide
PubChem CID114893517
Molecular FormulaC11H10BrN3OS2
Molecular Weight344.26 g/mol
Exact Mass342.94
IUPAC Name5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide
SMILESCc1csc(Sc2ccc(Br)cc2/C(N)=N/O)n1
InChIInChI=1S/C11H10BrN3OS2/c1-6-5-17-11(14-6)18-9-3-2-7(12)4-8(9)10(13)15-16/h2-5,16H,1H3,(H2,13,15)
InChIKeyPHPWHZOJZOPXQB-UHFFFAOYSA-N
XLogP3.46
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

5-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 102924955
5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 114893582
5-bromo-N'-hydroxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 114893539
N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 43187791
5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114893506
5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide
CID 137004433
1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
CID 82969452
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 82703873
N-[1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine
CID 82969605
N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
CID 61220460
3-iodo-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline
CID 66094627
[2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 114884648

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide?
The IUPAC name of 5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide (CID 114893517) is 5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide.
What is the SMILES notation for 5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide?
The canonical SMILES for 5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide is Cc1csc(Sc2ccc(Br)cc2/C(N)=N/O)n1.
What is the InChIKey of 5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide?
The InChIKey is PHPWHZOJZOPXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS2/c1-6-5-17-11(14-6)18-9-3-2-7(12)4-8(9)10(13)15-16/h2-5,16H,1H3,(H2,13,15).
What are the key properties of 5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide?
5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide has a molecular weight of 344.26 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide is sourced from PubChem (CID 114893517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).