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

C15H14N6O3S — CID 7646637

IUPACN'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESCc1ccccc1-n1nnnc1SCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C15H14N6O3S/c1-10-5-2-3-6-11(10)21-15(18-19-20-21)25-9-13(22)16-17-14(23)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,16,22)(H,17,23)
InChIKeyUUUMGUAXLOXGEE-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.12
Rot. Bonds5

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

N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 7646637) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
PubChem CID7646637
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC NameN'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESCc1ccccc1-n1nnnc1SCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C15H14N6O3S/c1-10-5-2-3-6-11(10)21-15(18-19-20-21)25-9-13(22)16-17-14(23)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,16,22)(H,17,23)
InChIKeyUUUMGUAXLOXGEE-UHFFFAOYSA-N
XLogP1.12
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.12
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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Related Compounds

N'-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 8658930
N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 9360183
N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 3189435
N-benzyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2420493
N'-[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 2485464
N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]furan-2-carbohydrazide
CID 9373294
3-bromo-5-methoxy-N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-4-phenylmethoxybenzohydrazide
CID 4854392
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7647417
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide
CID 3369531
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
N-[2,6-di(propan-2-yl)phenyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2419707
N'-[2-[[4-(2,3-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 43812949

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide (CID 7646637) is N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide is Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is UUUMGUAXLOXGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S/c1-10-5-2-3-6-11(10)21-15(18-19-20-21)25-9-13(22)16-17-14(23)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,16,22)(H,17,23).
What are the key properties of N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 358.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 7646637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).