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

C17H15N5O2S2 — CID 137276939

IUPAC2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H15N5O2S2/c23-14-8-6-12(7-9-14)10-18-20-15(24)11-25-17-22-21-16(26-17)19-13-4-2-1-3-5-13/h1-10,23H,11H2,(H,19,21)(H,20,24)/b18-10+
InChIKeyNXPRVTDBPFZXEM-VCHYOVAHSA-N
MW385.47 g/mol
LogP3.23
Rot. Bonds7

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

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 137276939) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID137276939
Molecular FormulaC17H15N5O2S2
Molecular Weight385.47 g/mol
Exact Mass385.07
IUPAC Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H15N5O2S2/c23-14-8-6-12(7-9-14)10-18-20-15(24)11-25-17-22-21-16(26-17)19-13-4-2-1-3-5-13/h1-10,23H,11H2,(H,19,21)(H,20,24)/b18-10+
InChIKeyNXPRVTDBPFZXEM-VCHYOVAHSA-N
XLogP3.23
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 135597825
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[[5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 6371276
methyl 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]acetate
CID 7999811
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 2487356
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3424280
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 2646531
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2644921
N-[(E)-(4-methylphenyl)methylideneamino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 6867260
4-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 5435376
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2107113
2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2504682
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136911175

Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 137276939) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(O)cc1.
What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is NXPRVTDBPFZXEM-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c23-14-8-6-12(7-9-14)10-18-20-15(24)11-25-17-22-21-16(26-17)19-13-4-2-1-3-5-13/h1-10,23H,11H2,(H,19,21)(H,20,24)/b18-10+.
What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 385.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 137276939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).