5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole

C16H21N5S — CID 56874194

IUPAC5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole
SMILESCCc1nc(-c2nccn2CCCc2scnc2C)c(C)[nH]1
InChIInChI=1S/C16H21N5S/c1-4-14-19-12(3)15(20-14)16-17-7-9-21(16)8-5-6-13-11(2)18-10-22-13/h7,9-10H,4-6,8H2,1-3H3,(H,19,20)
InChIKeyJOIWUBQZBWJXGV-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.54
Rot. Bonds6

About 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole

5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole (PubChem CID 56874194) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole
PubChem CID56874194
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole
SMILESCCc1nc(-c2nccn2CCCc2scnc2C)c(C)[nH]1
InChIInChI=1S/C16H21N5S/c1-4-14-19-12(3)15(20-14)16-17-7-9-21(16)8-5-6-13-11(2)18-10-22-13/h7,9-10H,4-6,8H2,1-3H3,(H,19,20)
InChIKeyJOIWUBQZBWJXGV-UHFFFAOYSA-N
XLogP3.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 50948080
5'-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H,3'H-2,4'-biimidazole
CID 56874920
5'-methyl-1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 70723298
2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 95209830
4-[(1S)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 95549776
(1S)-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine
CID 97603277
1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 137883002
2'-ethyl-5'-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H,3'H-2,4'-biimidazole
CID 56705549
2'-butyl-1-[1-(1,3-thiazol-2-yl)ethyl]-1H,1'H-2,4'-biimidazole
CID 56752146
5'-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 56868424
1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H,1'H-2,4'-biimidazole
CID 56869532
1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56917449

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole (CID 56874194) is 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole is CCc1nc(-c2nccn2CCCc2scnc2C)c(C)[nH]1.
What is the InChIKey of 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole?
The InChIKey is JOIWUBQZBWJXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-4-14-19-12(3)15(20-14)16-17-7-9-21(16)8-5-6-13-11(2)18-10-22-13/h7,9-10H,4-6,8H2,1-3H3,(H,19,20).
What are the key properties of 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole?
5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole has a molecular weight of 315.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 56874194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).