3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide

C13H15N3OS2 — CID 79141449

IUPAC3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCc1ccc(N)cc1SCc1ccsc1C(=O)NN
InChIInChI=1S/C13H15N3OS2/c1-8-2-3-10(14)6-11(8)19-7-9-4-5-18-12(9)13(17)16-15/h2-6H,7,14-15H2,1H3,(H,16,17)
InChIKeyJYOWSEVOJOMDGL-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.53
Rot. Bonds4

About 3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide

3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide (PubChem CID 79141449) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
PubChem CID79141449
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCc1ccc(N)cc1SCc1ccsc1C(=O)NN
InChIInChI=1S/C13H15N3OS2/c1-8-2-3-10(14)6-11(8)19-7-9-4-5-18-12(9)13(17)16-15/h2-6H,7,14-15H2,1H3,(H,16,17)
InChIKeyJYOWSEVOJOMDGL-UHFFFAOYSA-N
XLogP2.53
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 63641049
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253
3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63641118
3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63639235
2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzoic acid
CID 79140772
2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide
CID 79141355
3-(2-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66231446
3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66232584
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide
CID 63736840
3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640947
3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide
CID 79631389
3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 79671984

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide (CID 79141449) is 3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide is Cc1ccc(N)cc1SCc1ccsc1C(=O)NN.
What is the InChIKey of 3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide?
The InChIKey is JYOWSEVOJOMDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-8-2-3-10(14)6-11(8)19-7-9-4-5-18-12(9)13(17)16-15/h2-6H,7,14-15H2,1H3,(H,16,17).
What are the key properties of 3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide?
3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide has a molecular weight of 293.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 79141449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).