N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

C12H18N4S — CID 65199087

IUPACN-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)n1)c1nccn1CC
InChIInChI=1S/C12H18N4S/c1-4-13-11(10-8-17-9(3)15-10)12-14-6-7-16(12)5-2/h6-8,11,13H,4-5H2,1-3H3
InChIKeyAFBZFDIAKZGQGA-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.37
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 65199087) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID65199087
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)n1)c1nccn1CC
InChIInChI=1S/C12H18N4S/c1-4-13-11(10-8-17-9(3)15-10)12-14-6-7-16(12)5-2/h6-8,11,13H,4-5H2,1-3H3
InChIKeyAFBZFDIAKZGQGA-UHFFFAOYSA-N
XLogP2.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 65199028
2-(1-ethylimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105165882
N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105148600
N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55240315
1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 63967719
N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 65216299
N-[1-(1-ethylimidazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 63968142
N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098256
N-[(2-methyl-1,3-thiazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106786078
N-[(1-ethylimidazol-2-yl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79684646
N-[(5-methylpyrazin-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148936
N-ethyl-4-(1-ethylimidazol-2-yl)pentan-2-amine
CID 64721202

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 65199087) is N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is CCNC(c1csc(C)n1)c1nccn1CC.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is AFBZFDIAKZGQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-13-11(10-8-17-9(3)15-10)12-14-6-7-16(12)5-2/h6-8,11,13H,4-5H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 65199087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).