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

C11H16N4S — CID 66135354

IUPACN-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nccs1)c1cncn1CC
InChIInChI=1S/C11H16N4S/c1-3-13-10(11-14-5-6-16-11)9-7-12-8-15(9)4-2/h5-8,10,13H,3-4H2,1-2H3
InChIKeyBCJWSWHCSOYAMQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.06
Rot. Bonds5

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

N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 66135354) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID66135354
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nccs1)c1cncn1CC
InChIInChI=1S/C11H16N4S/c1-3-13-10(11-14-5-6-16-11)9-7-12-8-15(9)4-2/h5-8,10,13H,3-4H2,1-2H3
InChIKeyBCJWSWHCSOYAMQ-UHFFFAOYSA-N
XLogP2.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine (CID 66135354) is N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nccs1)c1cncn1CC.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is BCJWSWHCSOYAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-13-10(11-14-5-6-16-11)9-7-12-8-15(9)4-2/h5-8,10,13H,3-4H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 66135354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).