4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole

C8H9N3S — CID 173053610

IUPAC4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole
SMILESCc1csc(-c2cn(C)cn2)n1
InChIInChI=1S/C8H9N3S/c1-6-4-12-8(10-6)7-3-11(2)5-9-7/h3-5H,1-2H3
InChIKeyNAYGJYZLBUAYTG-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.85
Rot. Bonds1

About 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole

4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole (PubChem CID 173053610) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole
PubChem CID173053610
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole
SMILESCc1csc(-c2cn(C)cn2)n1
InChIInChI=1S/C8H9N3S/c1-6-4-12-8(10-6)7-3-11(2)5-9-7/h3-5H,1-2H3
InChIKeyNAYGJYZLBUAYTG-UHFFFAOYSA-N
XLogP1.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
CID 16227799
4-ethyl-2-(1H-imidazol-4-yl)-1,3-thiazole
CID 136333896
4-(1-Methylimidazol-4-yl)-1,3-thiazole
CID 117935576
4-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
CID 71683819
3,6-Dimethylimidazo[2,1-b]thiazole
CID 4029317
2-(1H-imidazol-4-yl)-1,3-thiazole
CID 53773131
N,N-dimethyl-5-{1-[(5-methylpyrazin-2-yl)methyl]-1H-imidazol-2-yl}-1,3-thiazol-2-amine
CID 56868675
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 75500657
1-[[2-[Cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]imidazole-4,5-dicarbonitrile
CID 86794606
(1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 124843016
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(1,4,5-trimethyl-1H-imidazol-2-yl)methyl]methanamine
CID 129620870
1-(4-ethyl-1,3-thiazol-2-yl)-N-(1H-imidazol-4-ylmethyl)methanamine
CID 132422951

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole (CID 173053610) is 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole is Cc1csc(-c2cn(C)cn2)n1.
What is the InChIKey of 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole?
The InChIKey is NAYGJYZLBUAYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-6-4-12-8(10-6)7-3-11(2)5-9-7/h3-5H,1-2H3.
What are the key properties of 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole?
4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole has a molecular weight of 179.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 173053610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).