N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide

C14H11FN6O3S — CID 1175656

IUPACN'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)NNC(=O)c1ccco1
InChIInChI=1S/C14H11FN6O3S/c15-9-3-5-10(6-4-9)21-14(18-19-20-21)25-8-12(22)16-17-13(23)11-2-1-7-24-11/h1-7H,8H2,(H,16,22)(H,17,23)
InChIKeyILPCKCRULSFTOV-UHFFFAOYSA-N
MW362.35 g/mol
LogP0.95
Rot. Bonds5

About N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide

N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 1175656) has the molecular formula C14H11FN6O3S and a molecular weight of 362.35 g/mol. Its IUPAC name is N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
PubChem CID1175656
Molecular FormulaC14H11FN6O3S
Molecular Weight362.35 g/mol
Exact Mass362.06
IUPAC NameN'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)NNC(=O)c1ccco1
InChIInChI=1S/C14H11FN6O3S/c15-9-3-5-10(6-4-9)21-14(18-19-20-21)25-8-12(22)16-17-13(23)11-2-1-7-24-11/h1-7H,8H2,(H,16,22)(H,17,23)
InChIKeyILPCKCRULSFTOV-UHFFFAOYSA-N
XLogP0.95
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide (CID 1175656) is N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide is O=C(CSc1nnnn1-c1ccc(F)cc1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is ILPCKCRULSFTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O3S/c15-9-3-5-10(6-4-9)21-14(18-19-20-21)25-8-12(22)16-17-13(23)11-2-1-7-24-11/h1-7H,8H2,(H,16,22)(H,17,23).
What are the key properties of N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 362.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 1175656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).