N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide

C11H13N3OS — CID 115679033

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C11H13N3OS/c1-8-6-16-7-9(8)11(15)14-3-2-10-12-4-5-13-10/h4-7H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyGWNWNCHNEITMBS-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.75
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide (PubChem CID 115679033) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
PubChem CID115679033
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C11H13N3OS/c1-8-6-16-7-9(8)11(15)14-3-2-10-12-4-5-13-10/h4-7H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyGWNWNCHNEITMBS-UHFFFAOYSA-N
XLogP1.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide
CID 102705968
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 115668440
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
CID 114821905
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115620280
2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 114103254
N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115620137
N-[2-(1H-imidazol-2-yl)ethyl]-4,5,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 122564999
N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-2-nitrobenzamide
CID 115668378
N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide
CID 106845248
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide (CID 115679033) is N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide?
The InChIKey is GWNWNCHNEITMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-6-16-7-9(8)11(15)14-3-2-10-12-4-5-13-10/h4-7H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 115679033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).