5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide

C19H18ClN5O4S2 — CID 16538800

IUPAC5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESCOc1ccc(Nc2nnc(SCC(=O)NNC(=O)c3cc(Cl)ccc3OC)s2)cc1
InChIInChI=1S/C19H18ClN5O4S2/c1-28-13-6-4-12(5-7-13)21-18-24-25-19(31-18)30-10-16(26)22-23-17(27)14-9-11(20)3-8-15(14)29-2/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26)(H,23,27)
InChIKeyATPFZDUSSNXUGA-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.51
Rot. Bonds8

About 5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide

5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (PubChem CID 16538800) has the molecular formula C19H18ClN5O4S2 and a molecular weight of 479.97 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
PubChem CID16538800
Molecular FormulaC19H18ClN5O4S2
Molecular Weight479.97 g/mol
Exact Mass479.05
IUPAC Name5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESCOc1ccc(Nc2nnc(SCC(=O)NNC(=O)c3cc(Cl)ccc3OC)s2)cc1
InChIInChI=1S/C19H18ClN5O4S2/c1-28-13-6-4-12(5-7-13)21-18-24-25-19(31-18)30-10-16(26)22-23-17(27)14-9-11(20)3-8-15(14)29-2/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26)(H,23,27)
InChIKeyATPFZDUSSNXUGA-UHFFFAOYSA-N
XLogP3.51
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[5-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 40833094
5-chloro-N-[5-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 44956753
N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2689529
2,5-dichloro-N-[5-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 40833497
5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 16539064
5-chloro-2-methoxy-N-[5-[2-oxo-2-[[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 3469392
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 8000000
N-(4-iodophenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2468241
5-chloro-2-methoxy-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100530148
N-(3,4-dimethoxyphenyl)-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 3613069
N-butyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2617357
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2659146

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (CID 16538800) is 5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is COc1ccc(Nc2nnc(SCC(=O)NNC(=O)c3cc(Cl)ccc3OC)s2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The InChIKey is ATPFZDUSSNXUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O4S2/c1-28-13-6-4-12(5-7-13)21-18-24-25-19(31-18)30-10-16(26)22-23-17(27)14-9-11(20)3-8-15(14)29-2/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26)(H,23,27).
What are the key properties of 5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide has a molecular weight of 479.97 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 16538800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).