5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide

C14H17N3O2S — CID 63577161

IUPAC5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CN(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C14H17N3O2S/c15-16-14(18)10-6-12(19-9-10)7-17(11-3-4-11)8-13-2-1-5-20-13/h1-2,5-6,9,11H,3-4,7-8,15H2,(H,16,18)
InChIKeyDNQLURRYUFGPLV-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.11
Rot. Bonds6

About 5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide

5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide (PubChem CID 63577161) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide
PubChem CID63577161
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CN(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C14H17N3O2S/c15-16-14(18)10-6-12(19-9-10)7-17(11-3-4-11)8-13-2-1-5-20-13/h1-2,5-6,9,11H,3-4,7-8,15H2,(H,16,18)
InChIKeyDNQLURRYUFGPLV-UHFFFAOYSA-N
XLogP2.11
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.11
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'}

Analyze 5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide with MolForge

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Related Compounds

3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
CID 63579662
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450995
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide
CID 63356225
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline
CID 63188821
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62030102
N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411859
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63578588
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 80730218
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide
CID 63577701
N-[[3-(methylaminomethyl)furan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62413445

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide (CID 63577161) is 5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide is NNC(=O)c1coc(CN(Cc2cccs2)C2CC2)c1.
What is the InChIKey of 5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide?
The InChIKey is DNQLURRYUFGPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-16-14(18)10-6-12(19-9-10)7-17(11-3-4-11)8-13-2-1-5-20-13/h1-2,5-6,9,11H,3-4,7-8,15H2,(H,16,18).
What are the key properties of 5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide?
5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide has a molecular weight of 291.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63577161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).