6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole

C15H13N5S — CID 139235791

IUPAC6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(-n2nnc(-c3cn4ccsc4n3)c2C)cc1
InChIInChI=1S/C15H13N5S/c1-10-3-5-12(6-4-10)20-11(2)14(17-18-20)13-9-19-7-8-21-15(19)16-13/h3-9H,1-2H3
InChIKeyNUEJXVGFXKZTSE-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.26
Rot. Bonds2

About 6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole

6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 139235791) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole
PubChem CID139235791
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(-n2nnc(-c3cn4ccsc4n3)c2C)cc1
InChIInChI=1S/C15H13N5S/c1-10-3-5-12(6-4-10)20-11(2)14(17-18-20)13-9-19-7-8-21-15(19)16-13/h3-9H,1-2H3
InChIKeyNUEJXVGFXKZTSE-UHFFFAOYSA-N
XLogP3.26
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole
CID 139235790
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole
CID 115403259
6-thiophen-3-ylimidazo[2,1-b][1,3]thiazole
CID 10352957
6-[4-(2-methoxyethyl)phenyl]imidazo[2,1-b][1,3]thiazole
CID 115403295
5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
CID 53170093
6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 19224481
6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 3528662
(1S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 115331752
6-(4-azidophenyl)imidazo[2,1-b][1,3]thiazole
CID 150120131
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
N-[3-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 20941225

Frequently Asked Questions

What is the IUPAC name of 6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole (CID 139235791) is 6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole is Cc1ccc(-n2nnc(-c3cn4ccsc4n3)c2C)cc1.
What is the InChIKey of 6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is NUEJXVGFXKZTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-10-3-5-12(6-4-10)20-11(2)14(17-18-20)13-9-19-7-8-21-15(19)16-13/h3-9H,1-2H3.
What are the key properties of 6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 295.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 139235791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).