2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide

C13H13ClN4O3S2 — CID 2567469

IUPAC2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide
SMILESCc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H13ClN4O3S2/c1-8-15-18-13(23-8)22-7-12(20)17-16-11(19)6-21-10-4-2-9(14)3-5-10/h2-5H,6-7H2,1H3,(H,16,19)(H,17,20)
InChIKeyBXUVYJDFDBLUGG-UHFFFAOYSA-N
MW372.86 g/mol
LogP1.82
Rot. Bonds6

About 2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide

2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide (PubChem CID 2567469) has the molecular formula C13H13ClN4O3S2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide
PubChem CID2567469
Molecular FormulaC13H13ClN4O3S2
Molecular Weight372.86 g/mol
Exact Mass372.01
IUPAC Name2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide
SMILESCc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H13ClN4O3S2/c1-8-15-18-13(23-8)22-7-12(20)17-16-11(19)6-21-10-4-2-9(14)3-5-10/h2-5H,6-7H2,1H3,(H,16,19)(H,17,20)
InChIKeyBXUVYJDFDBLUGG-UHFFFAOYSA-N
XLogP1.82
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 672788
N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 891795
N-(2,4-dichlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 804017
ethyl 4-[[2-[[5-[[2-(4-chlorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 4161044
N-[5-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 40833612
N-(5-chloro-2-hydroxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2235184
N-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 40833614
N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 3343317
2-(4-chlorophenoxy)-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3310531
1-(4-ethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 51889233
N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 763193
2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide
CID 7888739

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide?
The IUPAC name of 2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide (CID 2567469) is 2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide?
The canonical SMILES for 2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide is Cc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide?
The InChIKey is BXUVYJDFDBLUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3S2/c1-8-15-18-13(23-8)22-7-12(20)17-16-11(19)6-21-10-4-2-9(14)3-5-10/h2-5H,6-7H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide?
2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide has a molecular weight of 372.86 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide is sourced from PubChem (CID 2567469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).