4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one

C11H16N6OS — CID 106384287

IUPAC4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCc1nc(NN)cc(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C11H16N6OS/c1-2-3-8-15-9(4-10(16-8)17-12)13-5-7-6-19-11(18)14-7/h4,6H,2-3,5,12H2,1H3,(H,14,18)(H2,13,15,16,17)
InChIKeyIPYSSQILXUZNOR-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.08
Rot. Bonds6

About 4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384287) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384287
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCc1nc(NN)cc(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C11H16N6OS/c1-2-3-8-15-9(4-10(16-8)17-12)13-5-7-6-19-11(18)14-7/h4,6H,2-3,5,12H2,1H3,(H,14,18)(H2,13,15,16,17)
InChIKeyIPYSSQILXUZNOR-UHFFFAOYSA-N
XLogP1.08
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

4-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384277
4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181854
4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384244
6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
CID 80946967
4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384321
4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383012
4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384246
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946742
6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874984
6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80946582
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280838

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106384287) is 4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is CCCc1nc(NN)cc(NCc2csc(=O)[nH]2)n1.
What is the InChIKey of 4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is IPYSSQILXUZNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-2-3-8-15-9(4-10(16-8)17-12)13-5-7-6-19-11(18)14-7/h4,6H,2-3,5,12H2,1H3,(H,14,18)(H2,13,15,16,17).
What are the key properties of 4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 280.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).