4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide

C16H14N6O2S — CID 140552912

IUPAC4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccncc2NNC(=O)c2cscn2)cc1
InChIInChI=1S/C16H14N6O2S/c17-11-3-1-10(2-4-11)15(23)20-12-5-6-18-7-13(12)21-22-16(24)14-8-25-9-19-14/h1-9,21H,17H2,(H,22,24)(H,18,20,23)
InChIKeyWSBFNKSPERHGIR-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.13
Rot. Bonds5

About 4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide

4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide (PubChem CID 140552912) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is 4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide
PubChem CID140552912
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC Name4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccncc2NNC(=O)c2cscn2)cc1
InChIInChI=1S/C16H14N6O2S/c17-11-3-1-10(2-4-11)15(23)20-12-5-6-18-7-13(12)21-22-16(24)14-8-25-9-19-14/h1-9,21H,17H2,(H,22,24)(H,18,20,23)
InChIKeyWSBFNKSPERHGIR-UHFFFAOYSA-N
XLogP2.13
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide?
The IUPAC name of 4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide (CID 140552912) is 4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide?
The canonical SMILES for 4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide is Nc1ccc(C(=O)Nc2ccncc2NNC(=O)c2cscn2)cc1.
What is the InChIKey of 4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide?
The InChIKey is WSBFNKSPERHGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c17-11-3-1-10(2-4-11)15(23)20-12-5-6-18-7-13(12)21-22-16(24)14-8-25-9-19-14/h1-9,21H,17H2,(H,22,24)(H,18,20,23).
What are the key properties of 4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide?
4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide has a molecular weight of 354.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]-4-pyridinyl]benzamide is sourced from PubChem (CID 140552912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).