N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide

C11H11N3OS2 — CID 59117118

IUPACN'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide
SMILESCC(=S)NNC(=O)c1cc2c(C)cncc2s1
InChIInChI=1S/C11H11N3OS2/c1-6-4-12-5-10-8(6)3-9(17-10)11(15)14-13-7(2)16/h3-5H,1-2H3,(H,13,16)(H,14,15)
InChIKeyDBSAHRYOGRRIRK-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.19
Rot. Bonds1

About N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide

N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide (PubChem CID 59117118) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide
PubChem CID59117118
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC NameN'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide
SMILESCC(=S)NNC(=O)c1cc2c(C)cncc2s1
InChIInChI=1S/C11H11N3OS2/c1-6-4-12-5-10-8(6)3-9(17-10)11(15)14-13-7(2)16/h3-5H,1-2H3,(H,13,16)(H,14,15)
InChIKeyDBSAHRYOGRRIRK-UHFFFAOYSA-N
XLogP2.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanol;4-methylthieno[2,3-c]pyridine-2-carboxylic acid
CID 90848092
tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate
CID 169101294
4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 139916052
1-(4-aminothieno[2,3-c]pyridin-2-yl)ethanone
CID 82402692
1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone
CID 58622541
4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane
CID 167523093
4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide
CID 134178919
4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 20594234
4-chloro-N-[1-(methylcarbamoyl)cyclohexyl]thieno[2,3-c]pyridine-2-carboxamide
CID 166252213
tert-butyl 4-bromothieno[2,3-c]pyridine-2-carboxylate
CID 166604363
1-[4-(3-phenylphenyl)thieno[2,3-c]pyridin-2-yl]ethanone
CID 134168340
[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea
CID 79996515

Frequently Asked Questions

What is the IUPAC name of N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide?
The IUPAC name of N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide (CID 59117118) is N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide?
The canonical SMILES for N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide is CC(=S)NNC(=O)c1cc2c(C)cncc2s1.
What is the InChIKey of N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide?
The InChIKey is DBSAHRYOGRRIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-6-4-12-5-10-8(6)3-9(17-10)11(15)14-13-7(2)16/h3-5H,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide?
N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide has a molecular weight of 265.36 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethanethioyl-4-methylthieno[2,3-c]pyridine-2-carbohydrazide is sourced from PubChem (CID 59117118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).