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

C13H15N3OS2 — CID 79147042

IUPAC5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCc1cccc(SCc2ccc(C(=O)NN)s2)c1N
InChIInChI=1S/C13H15N3OS2/c1-8-3-2-4-10(12(8)14)18-7-9-5-6-11(19-9)13(17)16-15/h2-6H,7,14-15H2,1H3,(H,16,17)
InChIKeyBSYQYIOXXHTPMY-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.53
Rot. Bonds4

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

5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide (PubChem CID 79147042) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
PubChem CID79147042
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCc1cccc(SCc2ccc(C(=O)NN)s2)c1N
InChIInChI=1S/C13H15N3OS2/c1-8-3-2-4-10(12(8)14)18-7-9-5-6-11(19-9)13(17)16-15/h2-6H,7,14-15H2,1H3,(H,16,17)
InChIKeyBSYQYIOXXHTPMY-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 79146518
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580407
5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 55212321
5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63582493
3-[(2-amino-3-methylphenyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459216
5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66216952
5-[(4-methylsulfonylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63590993
methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate
CID 63580305
methyl 2-[2-[(2-amino-3-methylphenyl)sulfanylmethyl]phenyl]acetate
CID 115461023
5-[(2-amino-4-methylphenyl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 55183806
methyl 2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzoate
CID 82975620
methyl 5-[(2-amino-3-methylphenyl)sulfanylmethyl]furan-2-carboxylate
CID 79146730

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide (CID 79147042) is 5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide is Cc1cccc(SCc2ccc(C(=O)NN)s2)c1N.
What is the InChIKey of 5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide?
The InChIKey is BSYQYIOXXHTPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-8-3-2-4-10(12(8)14)18-7-9-5-6-11(19-9)13(17)16-15/h2-6H,7,14-15H2,1H3,(H,16,17).
What are the key properties of 5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide?
5-[(2-amino-3-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 5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 79147042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).