N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride

C10H17ClN2OS — CID 119505169

IUPACN-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1sccc1C.Cl
InChIInChI=1S/C10H16N2OS.ClH/c1-3-11-5-6-12-10(13)9-8(2)4-7-14-9;/h4,7,11H,3,5-6H2,1-2H3,(H,12,13);1H
InChIKeyGSVVNCZPTFCCKB-UHFFFAOYSA-N
MW248.78 g/mol
LogP1.82
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride (PubChem CID 119505169) has the molecular formula C10H17ClN2OS and a molecular weight of 248.78 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
PubChem CID119505169
Molecular FormulaC10H17ClN2OS
Molecular Weight248.78 g/mol
Exact Mass248.08
IUPAC NameN-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1sccc1C.Cl
InChIInChI=1S/C10H16N2OS.ClH/c1-3-11-5-6-12-10(13)9-8(2)4-7-14-9;/h4,7,11H,3,5-6H2,1-2H3,(H,12,13);1H
InChIKeyGSVVNCZPTFCCKB-UHFFFAOYSA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.78
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-(5-iodopentyl)-3-methylthiophene-2-carboxamide
CID 107322386
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
CID 62658051
2-[(3-methylthiophene-2-carbonyl)amino]ethyl nitrate
CID 23367112
N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 27646619
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
CID 71847384
2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 75496204

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride (CID 119505169) is N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride is CCNCCNC(=O)c1sccc1C.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride?
The InChIKey is GSVVNCZPTFCCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS.ClH/c1-3-11-5-6-12-10(13)9-8(2)4-7-14-9;/h4,7,11H,3,5-6H2,1-2H3,(H,12,13);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride has a molecular weight of 248.78 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119505169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).