5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide

C14H18N4OS — CID 63573242

IUPAC5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(CCc1ccccn1)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C14H18N4OS/c1-18(9-7-11-4-2-3-8-16-11)10-12-5-6-13(20-12)14(19)17-15/h2-6,8H,7,9-10,15H2,1H3,(H,17,19)
InChIKeyOCKDTDJSVBOLFG-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.42
Rot. Bonds6

About 5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide

5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63573242) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63573242
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(CCc1ccccn1)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C14H18N4OS/c1-18(9-7-11-4-2-3-8-16-11)10-12-5-6-13(20-12)14(19)17-15/h2-6,8H,7,9-10,15H2,1H3,(H,17,19)
InChIKeyOCKDTDJSVBOLFG-UHFFFAOYSA-N
XLogP1.42
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
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'}

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Related Compounds

5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63571803
1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228072
3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640379
6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909041
4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
CID 63572869
5-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573613
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 80733871
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419402
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol
CID 113372422
2-[methyl(2-pyridin-2-ylethyl)amino]-2-phenylacetohydrazide
CID 63572687

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide (CID 63573242) is 5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide is CN(CCc1ccccn1)Cc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is OCKDTDJSVBOLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-18(9-7-11-4-2-3-8-16-11)10-12-5-6-13(20-12)14(19)17-15/h2-6,8H,7,9-10,15H2,1H3,(H,17,19).
What are the key properties of 5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide?
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 290.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63573242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).