N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide

C11H11N3OS2 — CID 76938741

IUPACN'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(Sc2nccs2)c1
InChIInChI=1S/C11H11N3OS2/c1-7-2-3-8(10(12)14-15)9(6-7)17-11-13-4-5-16-11/h2-6,15H,1H3,(H2,12,14)
InChIKeyOISAKTYBRGIMJL-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.70
Rot. Bonds3

About N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide

N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 76938741) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID76938741
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC NameN'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(Sc2nccs2)c1
InChIInChI=1S/C11H11N3OS2/c1-7-2-3-8(10(12)14-15)9(6-7)17-11-13-4-5-16-11/h2-6,15H,1H3,(H2,12,14)
InChIKeyOISAKTYBRGIMJL-UHFFFAOYSA-N
XLogP2.70
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'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

4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
CID 76984895
2-bromo-3-fluoro-N'-hydroxy-4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
CID 107536991
N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
CID 61220460
2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide
CID 55057163
N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 76938911
5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 55172518
2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 79682498
2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43187799
2-(4-methylphenyl)sulfanyl-1,3-thiazole
CID 18712779
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
CID 114017362
5-fluoro-N'-hydroxy-2-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide
CID 77045189

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide (CID 76938741) is N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide is Cc1ccc(C(N)=NO)c(Sc2nccs2)c1.
What is the InChIKey of N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is OISAKTYBRGIMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-7-2-3-8(10(12)14-15)9(6-7)17-11-13-4-5-16-11/h2-6,15H,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide?
N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 265.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 76938741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).