N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide

C8H11ClN2OS — CID 103400298

IUPACN-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCN)c1Cl
InChIInChI=1S/C8H11ClN2OS/c1-5-4-13-7(6(5)9)8(12)11-3-2-10/h4H,2-3,10H2,1H3,(H,11,12)
InChIKeyDSVIMGPIAFNGNM-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.40
Rot. Bonds3

About N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide

N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 103400298) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID103400298
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC NameN-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCN)c1Cl
InChIInChI=1S/C8H11ClN2OS/c1-5-4-13-7(6(5)9)8(12)11-3-2-10/h4H,2-3,10H2,1H3,(H,11,12)
InChIKeyDSVIMGPIAFNGNM-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide 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-but-3-enyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103403000
N-(4-bromobutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106846016
N-but-3-ynyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103405315
N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103401796
3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide
CID 103406198
3-chloro-4-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 103403010
3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
CID 103403401
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide
CID 103403443
3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide
CID 107157265
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106107878
N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103404202
N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide
CID 103402961

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide (CID 103400298) is N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCCN)c1Cl.
What is the InChIKey of N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is DSVIMGPIAFNGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-5-4-13-7(6(5)9)8(12)11-3-2-10/h4H,2-3,10H2,1H3,(H,11,12).
What are the key properties of N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide?
N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 218.71 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103400298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).