N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide

C13H18N4OS — CID 103005135

IUPACN-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCCc1ccnn1C
InChIInChI=1S/C13H18N4OS/c1-10(18)16-12-5-8-19-13(12)9-14-6-3-11-4-7-15-17(11)2/h4-5,7-8,14H,3,6,9H2,1-2H3,(H,16,18)
InChIKeyQMTHIOSTLWATGG-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.77
Rot. Bonds6

About N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide

N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide (PubChem CID 103005135) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide
PubChem CID103005135
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCCc1ccnn1C
InChIInChI=1S/C13H18N4OS/c1-10(18)16-12-5-8-19-13(12)9-14-6-3-11-4-7-15-17(11)2/h4-5,7-8,14H,3,6,9H2,1-2H3,(H,16,18)
InChIKeyQMTHIOSTLWATGG-UHFFFAOYSA-N
XLogP1.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide
CID 104694418
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66387573
2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106085775
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931
N-[2-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]thiophen-3-yl]acetamide
CID 115674351
N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114174810
2-(2-methylpyrazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104694332
N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide
CID 81169972
N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114465669

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide (CID 103005135) is N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCCc1ccnn1C.
What is the InChIKey of N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide?
The InChIKey is QMTHIOSTLWATGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10(18)16-12-5-8-19-13(12)9-14-6-3-11-4-7-15-17(11)2/h4-5,7-8,14H,3,6,9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide?
N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide has a molecular weight of 278.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 103005135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).