N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide

C18H19N5O2S2 — CID 24832515

IUPACN'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide
SMILESCOc1ccccc1NNC(=O)CSc1nnc(Nc2ccc(C)cc2)s1
InChIInChI=1S/C18H19N5O2S2/c1-12-7-9-13(10-8-12)19-17-22-23-18(27-17)26-11-16(24)21-20-14-5-3-4-6-15(14)25-2/h3-10,20H,11H2,1-2H3,(H,19,22)(H,21,24)
InChIKeyHQBUQIYLPGFVLQ-UHFFFAOYSA-N
MW401.52 g/mol
LogP3.83
Rot. Bonds8

About N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide

N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide (PubChem CID 24832515) has the molecular formula C18H19N5O2S2 and a molecular weight of 401.52 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide
PubChem CID24832515
Molecular FormulaC18H19N5O2S2
Molecular Weight401.52 g/mol
Exact Mass401.10
IUPAC NameN'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide
SMILESCOc1ccccc1NNC(=O)CSc1nnc(Nc2ccc(C)cc2)s1
InChIInChI=1S/C18H19N5O2S2/c1-12-7-9-13(10-8-12)19-17-22-23-18(27-17)26-11-16(24)21-20-14-5-3-4-6-15(14)25-2/h3-10,20H,11H2,1-2H3,(H,19,22)(H,21,24)
InChIKeyHQBUQIYLPGFVLQ-UHFFFAOYSA-N
XLogP3.83
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 9220751
2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 2611727
N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9220853
2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2611708
2-[[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2611415
methyl 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 2589094
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 55467963
N-(4-cyanophenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9220884
2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 24520938
1-methyl-3-[[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiourea
CID 8659835
N-(4-fluorophenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8874034
2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 35641522

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide?
The IUPAC name of N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide (CID 24832515) is N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide.
What is the SMILES notation for N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide?
The canonical SMILES for N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide is COc1ccccc1NNC(=O)CSc1nnc(Nc2ccc(C)cc2)s1.
What is the InChIKey of N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide?
The InChIKey is HQBUQIYLPGFVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S2/c1-12-7-9-13(10-8-12)19-17-22-23-18(27-17)26-11-16(24)21-20-14-5-3-4-6-15(14)25-2/h3-10,20H,11H2,1-2H3,(H,19,22)(H,21,24).
What are the key properties of N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide?
N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide has a molecular weight of 401.52 g/mol, XLogP of 3.83, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide is sourced from PubChem (CID 24832515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).