5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide

C14H18N4OS — CID 80733871

IUPAC5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN(C)Cc1ccccn1
InChIInChI=1S/C14H18N4OS/c1-10-11(7-13(20-10)14(19)17-15)8-18(2)9-12-5-3-4-6-16-12/h3-7H,8-9,15H2,1-2H3,(H,17,19)
InChIKeyQWFJFNAEJKQHKB-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.69
Rot. Bonds5

About 5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide

5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 80733871) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID80733871
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN(C)Cc1ccccn1
InChIInChI=1S/C14H18N4OS/c1-10-11(7-13(20-10)14(19)17-15)8-18(2)9-12-5-3-4-6-16-12/h3-7H,8-9,15H2,1-2H3,(H,17,19)
InChIKeyQWFJFNAEJKQHKB-UHFFFAOYSA-N
XLogP1.69
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.69
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
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640901
4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734494
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573242
2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62052007
5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide
CID 80733545
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640379
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
2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide
CID 80734339

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide (CID 80733871) is 5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1CN(C)Cc1ccccn1.
What is the InChIKey of 5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is QWFJFNAEJKQHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-11(7-13(20-10)14(19)17-15)8-18(2)9-12-5-3-4-6-16-12/h3-7H,8-9,15H2,1-2H3,(H,17,19).
What are the key properties of 5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 290.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 80733871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).