[5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine

C11H15N3S — CID 103386757

IUPAC[5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine
SMILESCCc1nc(-c2cc(CN)cs2)[nH]c1C
InChIInChI=1S/C11H15N3S/c1-3-9-7(2)13-11(14-9)10-4-8(5-12)6-15-10/h4,6H,3,5,12H2,1-2H3,(H,13,14)
InChIKeyRJHAUKCEXIQDCR-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.47
Rot. Bonds3

About [5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine

[5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine (PubChem CID 103386757) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is [5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine
PubChem CID103386757
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name[5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine
SMILESCCc1nc(-c2cc(CN)cs2)[nH]c1C
InChIInChI=1S/C11H15N3S/c1-3-9-7(2)13-11(14-9)10-4-8(5-12)6-15-10/h4,6H,3,5,12H2,1-2H3,(H,13,14)
InChIKeyRJHAUKCEXIQDCR-UHFFFAOYSA-N
XLogP2.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4,5-diethyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine
CID 103386689
4-(4-ethyl-5-methyl-1H-imidazol-2-yl)pyridin-2-amine
CID 102970307
[5-(4-ethyl-5-methyl-1H-imidazol-2-yl)furan-2-yl]methanamine
CID 103386758
2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol
CID 155660193
(2,3-diethylquinoxalin-6-yl)methanamine
CID 82509122
4-ethyl-5-methyl-1H-imidazol-2-amine
CID 64981566
5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline
CID 61394076
4-[2-(4-ethylthiophen-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
CID 18771535
(5-methylsulfanylthiophen-3-yl)methanamine
CID 82415640
[4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine
CID 65472526
4-ethyl-2-ethynyl-5-methyl-1H-imidazole
CID 90967772
[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82289204

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine?
The IUPAC name of [5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine (CID 103386757) is [5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine.
What is the SMILES notation for [5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine?
The canonical SMILES for [5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine is CCc1nc(-c2cc(CN)cs2)[nH]c1C.
What is the InChIKey of [5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine?
The InChIKey is RJHAUKCEXIQDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-9-7(2)13-11(14-9)10-4-8(5-12)6-15-10/h4,6H,3,5,12H2,1-2H3,(H,13,14).
What are the key properties of [5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine?
[5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine has a molecular weight of 221.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethyl-5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanamine is sourced from PubChem (CID 103386757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).