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

C16H16N6O3S — CID 1452274

IUPACN'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESCc1ccc(C)c(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)c1
InChIInChI=1S/C16H16N6O3S/c1-10-5-6-11(2)12(8-10)22-16(19-20-21-22)26-9-14(23)17-18-15(24)13-4-3-7-25-13/h3-8H,9H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyIGCPUILZNCPDKO-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.43
Rot. Bonds5

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

N'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 1452274) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
PubChem CID1452274
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESCc1ccc(C)c(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)c1
InChIInChI=1S/C16H16N6O3S/c1-10-5-6-11(2)12(8-10)22-16(19-20-21-22)26-9-14(23)17-18-15(24)13-4-3-7-25-13/h3-8H,9H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyIGCPUILZNCPDKO-UHFFFAOYSA-N
XLogP1.43
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.43
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

Furan-2-carboxylic acid (3-{2-[1-(3,5-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-phenyl)-amide
CID 652737
N'-(2-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-2-furohydrazide
CID 1169843
Furan-2-carboxylic acid N'-{2-[1-(2,4-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetyl}-hydrazide
CID 1452271
Furan-2-carboxylic acid N'-{2-[1-(4-ethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetyl}-hydrazide
CID 3212961
Furan-2-carboxylic acid (3-{2-[1-(4-acetyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-phenyl)-amide
CID 3213522
N-[4-[5-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide
CID 3212991
N-[3-[[2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]furan-2-carboxamide
CID 647010
N-[3-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]furan-2-carboxamide
CID 656253
N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 1147166
N'-[2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 1440799
Furan-2-carboxylic acid N'-{2-[1-(3,4-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetyl}-hydrazide
CID 1452275
2-[[1-(2,4-Dimethylphenyl)-1H-tetrazol-5-yl]thio]-1-[4-(2-furanylcarbonyl)-1-piperazinyl]ethanone
CID 2382804

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide (CID 1452274) is N'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide is Cc1ccc(C)c(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)c1.
What is the InChIKey of N'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is IGCPUILZNCPDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-10-5-6-11(2)12(8-10)22-16(19-20-21-22)26-9-14(23)17-18-15(24)13-4-3-7-25-13/h3-8H,9H2,1-2H3,(H,17,23)(H,18,24).
What are the key properties of N'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 372.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 1452274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).