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

C14H18N6O3S — CID 1440829

IUPACN'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESO=C(CSc1nnnn1C1CCCCC1)NNC(=O)c1ccco1
InChIInChI=1S/C14H18N6O3S/c21-12(15-16-13(22)11-7-4-8-23-11)9-24-14-17-18-19-20(14)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,15,21)(H,16,22)
InChIKeyRCIZZUTZCOXQQI-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.32
Rot. Bonds5

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

N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 1440829) has the molecular formula C14H18N6O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide
PubChem CID1440829
Molecular FormulaC14H18N6O3S
Molecular Weight350.40 g/mol
Exact Mass350.12
IUPAC NameN'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESO=C(CSc1nnnn1C1CCCCC1)NNC(=O)c1ccco1
InChIInChI=1S/C14H18N6O3S/c21-12(15-16-13(22)11-7-4-8-23-11)9-24-14-17-18-19-20(14)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,15,21)(H,16,22)
InChIKeyRCIZZUTZCOXQQI-UHFFFAOYSA-N
XLogP1.32
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.32
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-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide (CID 1440829) is N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide is O=C(CSc1nnnn1C1CCCCC1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is RCIZZUTZCOXQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3S/c21-12(15-16-13(22)11-7-4-8-23-11)9-24-14-17-18-19-20(14)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,15,21)(H,16,22).
What are the key properties of N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 350.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 1440829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).