5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

C10H14N2OS — CID 4961736

IUPAC5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
SMILESCC1CCc2sc(C(=O)NN)cc2C1
InChIInChI=1S/C10H14N2OS/c1-6-2-3-8-7(4-6)5-9(14-8)10(13)12-11/h5-6H,2-4,11H2,1H3,(H,12,13)
InChIKeyOXNMMXRMVHHCBQ-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.48
Rot. Bonds1

About 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (PubChem CID 4961736) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
PubChem CID4961736
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
SMILESCC1CCc2sc(C(=O)NN)cc2C1
InChIInChI=1S/C10H14N2OS/c1-6-2-3-8-7(4-6)5-9(14-8)10(13)12-11/h5-6H,2-4,11H2,1H3,(H,12,13)
InChIKeyOXNMMXRMVHHCBQ-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-Cyano-3-methyl-5-phenylthiophene-2-carbohydrazide
CID 838334
N'-benzoylthiophene-2-carbohydrazide
CID 790437
1-Benzothiophene-2-carbohydrazide
CID 519437
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960
N'-(2-fluorobenzoyl)-3-methylthiophene-2-carbohydrazide
CID 2511029
N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide
CID 9105676
Thiophene-2-carbohydrazide, N2-(diphenylacetyl)-
CID 574179
2-Fluoro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793919
4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbohydrazide
CID 3470425
4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carbohydrazide
CID 3852288
5-tert-butyl-N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 4961630
N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 16556261

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (CID 4961736) is 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is CC1CCc2sc(C(=O)NN)cc2C1.
What is the InChIKey of 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The InChIKey is OXNMMXRMVHHCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-6-2-3-8-7(4-6)5-9(14-8)10(13)12-11/h5-6H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide has a molecular weight of 210.30 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 4961736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).