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

C14H18N4OS — CID 63640379

IUPAC3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(CCc1ccccn1)Cc1ccsc1C(=O)NN
InChIInChI=1S/C14H18N4OS/c1-18(8-5-12-4-2-3-7-16-12)10-11-6-9-20-13(11)14(19)17-15/h2-4,6-7,9H,5,8,10,15H2,1H3,(H,17,19)
InChIKeySGXKAIVPSYNGFO-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.42
Rot. Bonds6

About 3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide

3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63640379) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63640379
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(CCc1ccccn1)Cc1ccsc1C(=O)NN
InChIInChI=1S/C14H18N4OS/c1-18(8-5-12-4-2-3-7-16-12)10-11-6-9-20-13(11)14(19)17-15/h2-4,6-7,9H,5,8,10,15H2,1H3,(H,17,19)
InChIKeySGXKAIVPSYNGFO-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

3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640901
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573242
5-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573613
6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909041
4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
CID 63572869
3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 79858524
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
CID 63840723
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
N-[(2-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 779150
2-[methyl(2-pyridin-2-ylethyl)amino]-2-phenylacetohydrazide
CID 63572687
4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 139202506

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide (CID 63640379) is 3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide is CN(CCc1ccccn1)Cc1ccsc1C(=O)NN.
What is the InChIKey of 3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is SGXKAIVPSYNGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-18(8-5-12-4-2-3-7-16-12)10-11-6-9-20-13(11)14(19)17-15/h2-4,6-7,9H,5,8,10,15H2,1H3,(H,17,19).
What are the key properties of 3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide?
3-[[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 3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63640379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).