4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide

C11H19N3OS2 — CID 80745366

IUPAC4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CSCC(C)(C)N
InChIInChI=1S/C11H19N3OS2/c1-7-8(5-16-6-11(2,3)12)4-9(17-7)10(15)14-13/h4H,5-6,12-13H2,1-3H3,(H,14,15)
InChIKeyMMCBUEVLMCAUKM-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.63
Rot. Bonds5

About 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide

4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80745366) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80745366
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CSCC(C)(C)N
InChIInChI=1S/C11H19N3OS2/c1-7-8(5-16-6-11(2,3)12)4-9(17-7)10(15)14-13/h4H,5-6,12-13H2,1-3H3,(H,14,15)
InChIKeyMMCBUEVLMCAUKM-UHFFFAOYSA-N
XLogP1.63
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-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

5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 80746056
methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate
CID 107778289
5-methyl-4-[(4-nitrophenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 80733625
4-[(2-amino-4-chlorophenyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide
CID 80746059
5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide
CID 80734538
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733660
4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80733715
4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80745255
3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81367795
4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide
CID 106206575
5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide
CID 102608464

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide (CID 80745366) is 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1CSCC(C)(C)N.
What is the InChIKey of 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is MMCBUEVLMCAUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-7-8(5-16-6-11(2,3)12)4-9(17-7)10(15)14-13/h4H,5-6,12-13H2,1-3H3,(H,14,15).
What are the key properties of 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide?
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 273.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80745366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).