N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C24H23N3O4S — CID 31837485

IUPACN'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(CCCCc1nc2ccccc2s1)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C24H23N3O4S/c28-22(12-6-7-13-23-25-19-10-4-5-11-21(19)32-23)26-27-24(29)20-15-14-18(31-20)16-30-17-8-2-1-3-9-17/h1-5,8-11,14-15H,6-7,12-13,16H2,(H,26,28)(H,27,29)
InChIKeyYECAJMQGDPYQGI-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.64
Rot. Bonds9

About N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 31837485) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID31837485
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(CCCCc1nc2ccccc2s1)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C24H23N3O4S/c28-22(12-6-7-13-23-25-19-10-4-5-11-21(19)32-23)26-27-24(29)20-15-14-18(31-20)16-30-17-8-2-1-3-9-17/h1-5,8-11,14-15H,6-7,12-13,16H2,(H,26,28)(H,27,29)
InChIKeyYECAJMQGDPYQGI-UHFFFAOYSA-N
XLogP4.64
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43071369
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
5-(1,3-benzothiazol-2-yl)-N'-[2-(4-cyanophenoxy)acetyl]pentanehydrazide
CID 9323419
5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide
CID 9219783
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31464668
N'-[4-(1,3-benzothiazol-2-yl)butanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27689131
N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide
CID 9219810
N-[3-(2-anilino-2-oxoethoxy)phenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55901194
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 3881152
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074

Frequently Asked Questions

What is the IUPAC name of N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 31837485) is N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is O=C(CCCCc1nc2ccccc2s1)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is YECAJMQGDPYQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c28-22(12-6-7-13-23-25-19-10-4-5-11-21(19)32-23)26-27-24(29)20-15-14-18(31-20)16-30-17-8-2-1-3-9-17/h1-5,8-11,14-15H,6-7,12-13,16H2,(H,26,28)(H,27,29).
What are the key properties of N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 449.53 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 31837485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).