4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one

C9H11N5OS — CID 106384321

IUPAC4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESNNc1cc(NCc2csc(=O)[nH]2)ccn1
InChIInChI=1S/C9H11N5OS/c10-14-8-3-6(1-2-11-8)12-4-7-5-16-9(15)13-7/h1-3,5H,4,10H2,(H,13,15)(H2,11,12,14)
InChIKeyBENJOXUVLFFPOW-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.73
Rot. Bonds4

About 4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384321) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384321
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESNNc1cc(NCc2csc(=O)[nH]2)ccn1
InChIInChI=1S/C9H11N5OS/c10-14-8-3-6(1-2-11-8)12-4-7-5-16-9(15)13-7/h1-3,5H,4,10H2,(H,13,15)(H2,11,12,14)
InChIKeyBENJOXUVLFFPOW-UHFFFAOYSA-N
XLogP0.73
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide
CID 106381972
4-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384277
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 106383359
4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 106381505
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyridin-4-amine
CID 106901053
4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181570
4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181566
4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384246
6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide
CID 106381516
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114181779
4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381976
4-[(3-ethoxy-4-nitroanilino)methyl]-3H-1,3-thiazol-2-one
CID 106381995

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106384321) is 4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one is NNc1cc(NCc2csc(=O)[nH]2)ccn1.
What is the InChIKey of 4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is BENJOXUVLFFPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c10-14-8-3-6(1-2-11-8)12-4-7-5-16-9(15)13-7/h1-3,5H,4,10H2,(H,13,15)(H2,11,12,14).
What are the key properties of 4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 237.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).