N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide

C12H11FN4O2S — CID 772306

IUPACN'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide
SMILESNc1nc(CC(=O)NNC(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C12H11FN4O2S/c13-8-3-1-7(2-4-8)11(19)17-16-10(18)5-9-6-20-12(14)15-9/h1-4,6H,5H2,(H2,14,15)(H,16,18)(H,17,19)
InChIKeyFVCXGSPSEWDETG-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.87
Rot. Bonds3

About N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide

N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide (PubChem CID 772306) has the molecular formula C12H11FN4O2S and a molecular weight of 294.31 g/mol. Its IUPAC name is N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide
PubChem CID772306
Molecular FormulaC12H11FN4O2S
Molecular Weight294.31 g/mol
Exact Mass294.06
IUPAC NameN'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide
SMILESNc1nc(CC(=O)NNC(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C12H11FN4O2S/c13-8-3-1-7(2-4-8)11(19)17-16-10(18)5-9-6-20-12(14)15-9/h1-4,6H,5H2,(H2,14,15)(H,16,18)(H,17,19)
InChIKeyFVCXGSPSEWDETG-UHFFFAOYSA-N
XLogP0.87
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide (CID 772306) is N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide is Nc1nc(CC(=O)NNC(=O)c2ccc(F)cc2)cs1.
What is the InChIKey of N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide?
The InChIKey is FVCXGSPSEWDETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S/c13-8-3-1-7(2-4-8)11(19)17-16-10(18)5-9-6-20-12(14)15-9/h1-4,6H,5H2,(H2,14,15)(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide?
N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide has a molecular weight of 294.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 772306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).