5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide

C15H21N3O2S — CID 63582957

IUPAC5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN(Cc1cccs1)C(C)C
InChIInChI=1S/C15H21N3O2S/c1-10(2)18(9-13-5-4-6-21-13)8-12-7-14(15(19)17-16)20-11(12)3/h4-7,10H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyDFLNRMLBIZSZLT-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.66
Rot. Bonds6

About 5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide

5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide (PubChem CID 63582957) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
PubChem CID63582957
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN(Cc1cccs1)C(C)C
InChIInChI=1S/C15H21N3O2S/c1-10(2)18(9-13-5-4-6-21-13)8-12-7-14(15(19)17-16)20-11(12)3/h4-7,10H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyDFLNRMLBIZSZLT-UHFFFAOYSA-N
XLogP2.66
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.66
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

4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63572329
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide
CID 63571436
4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 82109127
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
5-methyl-4-[(2-thiophen-2-ylethylamino)methyl]furan-2-carboxylic acid
CID 103235548
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883409
2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384073
2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide
CID 63583861
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 61451664
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411
4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide
CID 63572307

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide (CID 63582957) is 5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1CN(Cc1cccs1)C(C)C.
What is the InChIKey of 5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is DFLNRMLBIZSZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10(2)18(9-13-5-4-6-21-13)8-12-7-14(15(19)17-16)20-11(12)3/h4-7,10H,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide?
5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 307.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63582957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).