N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C11H11N5O4S2 — CID 171714660

IUPACN-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N/N=C/c2ccccc2O)s1
InChIInChI=1S/C11H11N5O4S2/c1-7(17)13-10-14-15-11(21-10)22(19,20)16-12-6-8-4-2-3-5-9(8)18/h2-6,16,18H,1H3,(H,13,14,17)/b12-6+
InChIKeySXFJHBVWQOYEFV-WUXMJOGZSA-N
MW341.37 g/mol
LogP0.51
Rot. Bonds5

About N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 171714660) has the molecular formula C11H11N5O4S2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID171714660
Molecular FormulaC11H11N5O4S2
Molecular Weight341.37 g/mol
Exact Mass341.03
IUPAC NameN-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N/N=C/c2ccccc2O)s1
InChIInChI=1S/C11H11N5O4S2/c1-7(17)13-10-14-15-11(21-10)22(19,20)16-12-6-8-4-2-3-5-9(8)18/h2-6,16,18H,1H3,(H,13,14,17)/b12-6+
InChIKeySXFJHBVWQOYEFV-WUXMJOGZSA-N
XLogP0.51
TPSA133.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133187007
N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
CID 135958055
N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110300325
N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110634809
N-[5-[1-(2-methoxyphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133162457
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 135678785
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135958003
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
2,3-dihydroxybenzoic acid;tris(N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide)
CID 139145084
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
CID 135606221
N-[5-[[(1R)-1-(2-methylphenyl)propyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100514128

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 171714660) is N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)N/N=C/c2ccccc2O)s1.
What is the InChIKey of N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is SXFJHBVWQOYEFV-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H11N5O4S2/c1-7(17)13-10-14-15-11(21-10)22(19,20)16-12-6-8-4-2-3-5-9(8)18/h2-6,16,18H,1H3,(H,13,14,17)/b12-6+.
What are the key properties of N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 171714660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).