N'-acetyl-5-methylthiophene-3-carbohydrazide

C8H10N2O2S — CID 131134139

IUPACN'-acetyl-5-methylthiophene-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1csc(C)c1
InChIInChI=1S/C8H10N2O2S/c1-5-3-7(4-13-5)8(12)10-9-6(2)11/h3-4H,1-2H3,(H,9,11)(H,10,12)
InChIKeyAQSMKBRCNXZMCQ-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.84
Rot. Bonds1

About N'-acetyl-5-methylthiophene-3-carbohydrazide

N'-acetyl-5-methylthiophene-3-carbohydrazide (PubChem CID 131134139) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N'-acetyl-5-methylthiophene-3-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-5-methylthiophene-3-carbohydrazide
PubChem CID131134139
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN'-acetyl-5-methylthiophene-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1csc(C)c1
InChIInChI=1S/C8H10N2O2S/c1-5-3-7(4-13-5)8(12)10-9-6(2)11/h3-4H,1-2H3,(H,9,11)(H,10,12)
InChIKeyAQSMKBRCNXZMCQ-UHFFFAOYSA-N
XLogP0.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-acetyl-5-methylthiophene-3-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'-acetyl-5-iodothiophene-3-carbohydrazide
CID 78950515
N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
CID 3119755
1-butyl-3-[(5-methylthiophene-3-carbonyl)amino]thiourea
CID 5172669
(1S,2S,3R,4S)-3-[[(5-methylthiophene-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98290446
3-[[(5-methylthiophene-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 4205647
2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 79617007
1-[(5-methylthiophene-3-carbonyl)amino]-3-naphthalen-1-ylthiourea
CID 17373493
N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide
CID 131115004
N-(2-bromoprop-2-enyl)-5-methylthiophene-3-carboxamide
CID 130610492
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 1247088
N-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-5-methylthiophene-3-carboxamide
CID 92527064
5-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 2970344

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-5-methylthiophene-3-carbohydrazide?
The IUPAC name of N'-acetyl-5-methylthiophene-3-carbohydrazide (CID 131134139) is N'-acetyl-5-methylthiophene-3-carbohydrazide.
What is the SMILES notation for N'-acetyl-5-methylthiophene-3-carbohydrazide?
The canonical SMILES for N'-acetyl-5-methylthiophene-3-carbohydrazide is CC(=O)NNC(=O)c1csc(C)c1.
What is the InChIKey of N'-acetyl-5-methylthiophene-3-carbohydrazide?
The InChIKey is AQSMKBRCNXZMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-5-3-7(4-13-5)8(12)10-9-6(2)11/h3-4H,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N'-acetyl-5-methylthiophene-3-carbohydrazide?
N'-acetyl-5-methylthiophene-3-carbohydrazide has a molecular weight of 198.25 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-5-methylthiophene-3-carbohydrazide is sourced from PubChem (CID 131134139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).