N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide

C11H16N2O3S2 — CID 66137028

IUPACN'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide
SMILESCC(CCO)SCC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C11H16N2O3S2/c1-8(4-5-14)18-7-10(15)12-13-11(16)9-3-2-6-17-9/h2-3,6,8,14H,4-5,7H2,1H3,(H,12,15)(H,13,16)
InChIKeyLMKDKNGRKROXAM-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.01
Rot. Bonds6

About N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide

N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide (PubChem CID 66137028) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide
PubChem CID66137028
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC NameN'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide
SMILESCC(CCO)SCC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C11H16N2O3S2/c1-8(4-5-14)18-7-10(15)12-13-11(16)9-3-2-6-17-9/h2-3,6,8,14H,4-5,7H2,1H3,(H,12,15)(H,13,16)
InChIKeyLMKDKNGRKROXAM-UHFFFAOYSA-N
XLogP1.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]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

N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid
CID 81222543
N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide
CID 66136121
N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 43249305
N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide
CID 62016772
2-[1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]azetidin-3-yl]propanoic acid
CID 116683976
N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide
CID 60686825
N'-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 4808652
N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 9479279
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide (CID 66137028) is N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide is CC(CCO)SCC(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is LMKDKNGRKROXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-8(4-5-14)18-7-10(15)12-13-11(16)9-3-2-6-17-9/h2-3,6,8,14H,4-5,7H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide?
N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 288.39 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 66137028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).