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

C16H17N3OS — CID 14742529

IUPAC4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
SMILESCCOc1ccccc1-c1csc(Cc2nc[nH]c2C)n1
InChIInChI=1S/C16H17N3OS/c1-3-20-15-7-5-4-6-12(15)14-9-21-16(19-14)8-13-11(2)17-10-18-13/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)
InChIKeyIGUNCWYUVZUGQV-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.83
Rot. Bonds5

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

4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole (PubChem CID 14742529) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
PubChem CID14742529
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
SMILESCCOc1ccccc1-c1csc(Cc2nc[nH]c2C)n1
InChIInChI=1S/C16H17N3OS/c1-3-20-15-7-5-4-6-12(15)14-9-21-16(19-14)8-13-11(2)17-10-18-13/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)
InChIKeyIGUNCWYUVZUGQV-UHFFFAOYSA-N
XLogP3.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole (CID 14742529) is 4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole is CCOc1ccccc1-c1csc(Cc2nc[nH]c2C)n1.
What is the InChIKey of 4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The InChIKey is IGUNCWYUVZUGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-20-15-7-5-4-6-12(15)14-9-21-16(19-14)8-13-11(2)17-10-18-13/h4-7,9-10H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole has a molecular weight of 299.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 14742529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).