N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine

C11H15N3S — CID 107974380

IUPACN-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1cn(C)cn1
InChIInChI=1S/C11H15N3S/c1-12-10(6-9-4-3-5-15-9)11-7-14(2)8-13-11/h3-5,7-8,10,12H,6H2,1-2H3
InChIKeyGMDMPCYAEJYLHX-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.98
Rot. Bonds4

About N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine

N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine (PubChem CID 107974380) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine
PubChem CID107974380
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1cn(C)cn1
InChIInChI=1S/C11H15N3S/c1-12-10(6-9-4-3-5-15-9)11-7-14(2)8-13-11/h3-5,7-8,10,12H,6H2,1-2H3
InChIKeyGMDMPCYAEJYLHX-UHFFFAOYSA-N
XLogP1.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylimidazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 107977114
1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 107978387
N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105134087
N-methyl-1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 63555608
2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107973641
N-methyl-1-(1-methylimidazol-4-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 107976079
N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114219164
N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708107
N-methyl-1-(1-methylimidazol-4-yl)hexan-1-amine
CID 107974330
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974361
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114649430
N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine
CID 115374448

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine (CID 107974380) is N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine is CNC(Cc1cccs1)c1cn(C)cn1.
What is the InChIKey of N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine?
The InChIKey is GMDMPCYAEJYLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-12-10(6-9-4-3-5-15-9)11-7-14(2)8-13-11/h3-5,7-8,10,12H,6H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine?
N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine has a molecular weight of 221.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 107974380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).