N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine

C14H22N4S — CID 66135561

IUPACN-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(CC)c(C)s1)c1cncn1CC
InChIInChI=1S/C14H22N4S/c1-5-11-10(4)19-14(17-11)13(16-6-2)12-8-15-9-18(12)7-3/h8-9,13,16H,5-7H2,1-4H3
InChIKeyBXMZZXPAERWLBO-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.93
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine

N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 66135561) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID66135561
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(CC)c(C)s1)c1cncn1CC
InChIInChI=1S/C14H22N4S/c1-5-11-10(4)19-14(17-11)13(16-6-2)12-8-15-9-18(12)7-3/h8-9,13,16H,5-7H2,1-4H3
InChIKeyBXMZZXPAERWLBO-UHFFFAOYSA-N
XLogP2.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 66135561) is N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(CC)c(C)s1)c1cncn1CC.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is BXMZZXPAERWLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-5-11-10(4)19-14(17-11)13(16-6-2)12-8-15-9-18(12)7-3/h8-9,13,16H,5-7H2,1-4H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 278.43 g/mol, XLogP of 2.93, 6 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)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 66135561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).