N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide

C16H15N3O3S — CID 9472811

IUPACN'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CCc1nc2ccccc2s1
InChIInChI=1S/C16H15N3O3S/c1-10-11(8-9-22-10)16(21)19-18-14(20)6-7-15-17-12-4-2-3-5-13(12)23-15/h2-5,8-9H,6-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyPZVHEPHHTSCMLH-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.59
Rot. Bonds4

About N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide

N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide (PubChem CID 9472811) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide
PubChem CID9472811
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CCc1nc2ccccc2s1
InChIInChI=1S/C16H15N3O3S/c1-10-11(8-9-22-10)16(21)19-18-14(20)6-7-15-17-12-4-2-3-5-13(12)23-15/h2-5,8-9H,6-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyPZVHEPHHTSCMLH-UHFFFAOYSA-N
XLogP2.59
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide
CID 27691817
1-(1,3-benzothiazol-2-yl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43321384
1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-propan-2-ylthiourea
CID 7978198
3-(1,3-benzothiazol-2-yl)-N'-[2-(3,4-dimethylphenoxy)acetyl]propanehydrazide
CID 27569374
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 18107216
3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 9472025
3-(1,3-benzothiazol-2-yl)-N-prop-2-ynylpropanamide
CID 27741117
N'-[4-(1,3-benzothiazol-2-yl)butanoyl]-4-chloro-2-methoxybenzohydrazide
CID 32932403
N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
CID 10634351
3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
CID 7964922
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 3881152
3-[3-(1,3-benzothiazol-2-yl)propanoylamino]butanoic acid
CID 43360732

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide (CID 9472811) is N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)CCc1nc2ccccc2s1.
What is the InChIKey of N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is PZVHEPHHTSCMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-11(8-9-22-10)16(21)19-18-14(20)6-7-15-17-12-4-2-3-5-13(12)23-15/h2-5,8-9H,6-7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide?
N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 329.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 9472811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).