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

C14H17N3O2S — CID 63578588

IUPAC5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN(Cc2ccco2)C2CC2)s1
InChIInChI=1S/C14H17N3O2S/c15-16-14(18)13-6-5-12(20-13)9-17(10-3-4-10)8-11-2-1-7-19-11/h1-2,5-7,10H,3-4,8-9,15H2,(H,16,18)
InChIKeyLWWYARZDQKSCPJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.11
Rot. Bonds6

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

5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63578588) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63578588
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN(Cc2ccco2)C2CC2)s1
InChIInChI=1S/C14H17N3O2S/c15-16-14(18)13-6-5-12(20-13)9-17(10-3-4-10)8-11-2-1-7-19-11/h1-2,5-7,10H,3-4,8-9,15H2,(H,16,18)
InChIKeyLWWYARZDQKSCPJ-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(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide with MolForge

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Related Compounds

2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62030108
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79630506
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62030109
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 80728224
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
CID 62029916
4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913
N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine
CID 62245161
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide
CID 63577161
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate
CID 80549181
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide (CID 63578588) is 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide is NNC(=O)c1ccc(CN(Cc2ccco2)C2CC2)s1.
What is the InChIKey of 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is LWWYARZDQKSCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-16-14(18)13-6-5-12(20-13)9-17(10-3-4-10)8-11-2-1-7-19-11/h1-2,5-7,10H,3-4,8-9,15H2,(H,16,18).
What are the key properties of 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-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 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63578588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).