N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide

C12H15N5O4S2 — CID 25162834

IUPACN'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
SMILESCOCCNc1nnc(SCC(=O)NNC(=O)c2ccco2)s1
InChIInChI=1S/C12H15N5O4S2/c1-20-6-4-13-11-16-17-12(23-11)22-7-9(18)14-15-10(19)8-3-2-5-21-8/h2-3,5H,4,6-7H2,1H3,(H,13,16)(H,14,18)(H,15,19)
InChIKeyIQNONASEDMFUEO-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.74
Rot. Bonds8

About N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide

N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide (PubChem CID 25162834) has the molecular formula C12H15N5O4S2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
PubChem CID25162834
Molecular FormulaC12H15N5O4S2
Molecular Weight357.42 g/mol
Exact Mass357.06
IUPAC NameN'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
SMILESCOCCNc1nnc(SCC(=O)NNC(=O)c2ccco2)s1
InChIInChI=1S/C12H15N5O4S2/c1-20-6-4-13-11-16-17-12(23-11)22-7-9(18)14-15-10(19)8-3-2-5-21-8/h2-3,5H,4,6-7H2,1H3,(H,13,16)(H,14,18)(H,15,19)
InChIKeyIQNONASEDMFUEO-UHFFFAOYSA-N
XLogP0.74
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide (CID 25162834) is N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide is COCCNc1nnc(SCC(=O)NNC(=O)c2ccco2)s1.
What is the InChIKey of N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
The InChIKey is IQNONASEDMFUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4S2/c1-20-6-4-13-11-16-17-12(23-11)22-7-9(18)14-15-10(19)8-3-2-5-21-8/h2-3,5H,4,6-7H2,1H3,(H,13,16)(H,14,18)(H,15,19).
What are the key properties of N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide has a molecular weight of 357.42 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 25162834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).