2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide

C13H16N4OS2 — CID 115465721

IUPAC2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide
SMILESCc1nc(N)sc1SCc1ccccc1CC(=O)NN
InChIInChI=1S/C13H16N4OS2/c1-8-12(20-13(14)16-8)19-7-10-5-3-2-4-9(10)6-11(18)17-15/h2-5H,6-7,15H2,1H3,(H2,14,16)(H,17,18)
InChIKeyJDUIYORTKWHZSG-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.86
Rot. Bonds5

About 2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide

2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide (PubChem CID 115465721) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide
PubChem CID115465721
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide
SMILESCc1nc(N)sc1SCc1ccccc1CC(=O)NN
InChIInChI=1S/C13H16N4OS2/c1-8-12(20-13(14)16-8)19-7-10-5-3-2-4-9(10)6-11(18)17-15/h2-5H,6-7,15H2,1H3,(H2,14,16)(H,17,18)
InChIKeyJDUIYORTKWHZSG-UHFFFAOYSA-N
XLogP1.86
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]benzohydrazide
CID 63582368
5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43250689
4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 55214476
2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 106926255
3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide
CID 43250458
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-6-nitrobenzoic acid
CID 104825217
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 43250244
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 43250576
4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 62698614
4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
CID 79267623
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 43250307
2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]propanoic acid
CID 105345148

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide (CID 115465721) is 2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide is Cc1nc(N)sc1SCc1ccccc1CC(=O)NN.
What is the InChIKey of 2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide?
The InChIKey is JDUIYORTKWHZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-8-12(20-13(14)16-8)19-7-10-5-3-2-4-9(10)6-11(18)17-15/h2-5H,6-7,15H2,1H3,(H2,14,16)(H,17,18).
What are the key properties of 2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide?
2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide has a molecular weight of 308.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).