5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide

C13H16ClN3O2S — CID 63584688

IUPAC5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN(C)Cc2ccc(Cl)s2)cc1C(=O)NN
InChIInChI=1S/C13H16ClN3O2S/c1-8-11(13(18)16-15)5-9(19-8)6-17(2)7-10-3-4-12(14)20-10/h3-5H,6-7,15H2,1-2H3,(H,16,18)
InChIKeySTFOKWWEKVWLGL-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.54
Rot. Bonds5

About 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide

5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 63584688) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
PubChem CID63584688
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN(C)Cc2ccc(Cl)s2)cc1C(=O)NN
InChIInChI=1S/C13H16ClN3O2S/c1-8-11(13(18)16-15)5-9(19-8)6-17(2)7-10-3-4-12(14)20-10/h3-5H,6-7,15H2,1-2H3,(H,16,18)
InChIKeySTFOKWWEKVWLGL-UHFFFAOYSA-N
XLogP2.54
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.54
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-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585244
2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide
CID 63572711
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62428901
2-methyl-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63585605
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62428902
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62430691
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106918303
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60676850
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide
CID 63572843

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide (CID 63584688) is 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide is Cc1oc(CN(C)Cc2ccc(Cl)s2)cc1C(=O)NN.
What is the InChIKey of 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is STFOKWWEKVWLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-8-11(13(18)16-15)5-9(19-8)6-17(2)7-10-3-4-12(14)20-10/h3-5H,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide?
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 313.81 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63584688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).