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

C15H12FN5O3S2 — CID 8674171

IUPACN'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
SMILESO=C(CSc1nnc(Nc2cccc(F)c2)s1)NNC(=O)c1ccco1
InChIInChI=1S/C15H12FN5O3S2/c16-9-3-1-4-10(7-9)17-14-20-21-15(26-14)25-8-12(22)18-19-13(23)11-5-2-6-24-11/h1-7H,8H2,(H,17,20)(H,18,22)(H,19,23)
InChIKeyWMEIYRDEPFTQPR-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.57
Rot. Bonds6

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

N'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide (PubChem CID 8674171) has the molecular formula C15H12FN5O3S2 and a molecular weight of 393.43 g/mol. Its IUPAC name is N'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
PubChem CID8674171
Molecular FormulaC15H12FN5O3S2
Molecular Weight393.43 g/mol
Exact Mass393.04
IUPAC NameN'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
SMILESO=C(CSc1nnc(Nc2cccc(F)c2)s1)NNC(=O)c1ccco1
InChIInChI=1S/C15H12FN5O3S2/c16-9-3-1-4-10(7-9)17-14-20-21-15(26-14)25-8-12(22)18-19-13(23)11-5-2-6-24-11/h1-7H,8H2,(H,17,20)(H,18,22)(H,19,23)
InChIKeyWMEIYRDEPFTQPR-UHFFFAOYSA-N
XLogP2.57
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.57
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-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674150
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8633038
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 8674038
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 8674152
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 18194114
N,N-diethyl-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17451366
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 8674084
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2-fluorophenyl)ethanone
CID 8674116
1-(1-benzofuran-2-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 8674106
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 8674104
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8674251
methyl (2R,3R)-2-[[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-methylpentanoate
CID 8633021

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide (CID 8674171) is N'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide is O=C(CSc1nnc(Nc2cccc(F)c2)s1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
The InChIKey is WMEIYRDEPFTQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O3S2/c16-9-3-1-4-10(7-9)17-14-20-21-15(26-14)25-8-12(22)18-19-13(23)11-5-2-6-24-11/h1-7H,8H2,(H,17,20)(H,18,22)(H,19,23).
What are the key properties of N'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
N'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide has a molecular weight of 393.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 8674171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).