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

C15H15N3S — CID 14742538

IUPAC2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(Cc3nc[nH]c3C)n2)cc1
InChIInChI=1S/C15H15N3S/c1-10-3-5-12(6-4-10)14-8-19-15(18-14)7-13-11(2)16-9-17-13/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKeySSTYIMBHNKHESH-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.74
Rot. Bonds3

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

2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 14742538) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole
PubChem CID14742538
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(Cc3nc[nH]c3C)n2)cc1
InChIInChI=1S/C15H15N3S/c1-10-3-5-12(6-4-10)14-8-19-15(18-14)7-13-11(2)16-9-17-13/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKeySSTYIMBHNKHESH-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole (CID 14742538) is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(Cc3nc[nH]c3C)n2)cc1.
What is the InChIKey of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is SSTYIMBHNKHESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-3-5-12(6-4-10)14-8-19-15(18-14)7-13-11(2)16-9-17-13/h3-6,8-9H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole?
2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 269.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 14742538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).