N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide

C11H11N3O2S3 — CID 3446883

IUPACN-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCSc1nsc(SCC(=O)Nc2ccc(O)cc2)n1
InChIInChI=1S/C11H11N3O2S3/c1-17-10-13-11(19-14-10)18-6-9(16)12-7-2-4-8(15)5-3-7/h2-5,15H,6H2,1H3,(H,12,16)
InChIKeyPRVJQWIQPYMFET-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.70
Rot. Bonds5

About N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide

N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (PubChem CID 3446883) has the molecular formula C11H11N3O2S3 and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
PubChem CID3446883
Molecular FormulaC11H11N3O2S3
Molecular Weight313.43 g/mol
Exact Mass313.00
IUPAC NameN-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCSc1nsc(SCC(=O)Nc2ccc(O)cc2)n1
InChIInChI=1S/C11H11N3O2S3/c1-17-10-13-11(19-14-10)18-6-9(16)12-7-2-4-8(15)5-3-7/h2-5,15H,6H2,1H3,(H,12,16)
InChIKeyPRVJQWIQPYMFET-UHFFFAOYSA-N
XLogP2.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 3163265
N-(9,10-dioxoanthracen-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 6492795
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 4034707
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2982579
N-(4-bromophenyl)-3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanamide
CID 50930017
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2037593
N-(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2668647
N-(2,6-dibromo-4-nitrophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 4612399
1-(4-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
CID 3962092
N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 7119260
N-(4-methylphenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 4569596
N-(2,4-dibromo-6-nitrophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 5105064

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (CID 3446883) is N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is CSc1nsc(SCC(=O)Nc2ccc(O)cc2)n1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The InChIKey is PRVJQWIQPYMFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S3/c1-17-10-13-11(19-14-10)18-6-9(16)12-7-2-4-8(15)5-3-7/h2-5,15H,6H2,1H3,(H,12,16).
What are the key properties of N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide has a molecular weight of 313.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 3446883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).