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

C14H17N3O2S — CID 63579662

IUPAC3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CN(Cc1cccs1)C1CC1
InChIInChI=1S/C14H17N3O2S/c15-16-14(18)13-10(5-6-19-13)8-17(11-3-4-11)9-12-2-1-7-20-12/h1-2,5-7,11H,3-4,8-9,15H2,(H,16,18)
InChIKeyLTKQNYOAJVAQPG-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.11
Rot. Bonds6

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

3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide (PubChem CID 63579662) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
PubChem CID63579662
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CN(Cc1cccs1)C1CC1
InChIInChI=1S/C14H17N3O2S/c15-16-14(18)13-10(5-6-19-13)8-17(11-3-4-11)9-12-2-1-7-20-12/h1-2,5-7,11H,3-4,8-9,15H2,(H,16,18)
InChIKeyLTKQNYOAJVAQPG-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 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide with MolForge

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Related Compounds

3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578786
5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide
CID 63577161
3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 79494200
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
N-[[3-(methylaminomethyl)furan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62413445
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 80730218
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450995
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 52569061
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62030102
[(2R)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-hydroxypropyl] butanoate
CID 93147255

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide (CID 63579662) is 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide is NNC(=O)c1occc1CN(Cc1cccs1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is LTKQNYOAJVAQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-16-14(18)13-10(5-6-19-13)8-17(11-3-4-11)9-12-2-1-7-20-12/h1-2,5-7,11H,3-4,8-9,15H2,(H,16,18).
What are the key properties of 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide?
3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-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 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63579662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).