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

C15H15N3OS — CID 14742534

IUPAC4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
SMILESCOc1cccc(-c2csc(Cc3nc[nH]c3C)n2)c1
InChIInChI=1S/C15H15N3OS/c1-10-13(17-9-16-10)7-15-18-14(8-20-15)11-4-3-5-12(6-11)19-2/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKeySGTIDGYAQNRMPV-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.44
Rot. Bonds4

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

4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole (PubChem CID 14742534) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
PubChem CID14742534
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
SMILESCOc1cccc(-c2csc(Cc3nc[nH]c3C)n2)c1
InChIInChI=1S/C15H15N3OS/c1-10-13(17-9-16-10)7-15-18-14(8-20-15)11-4-3-5-12(6-11)19-2/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKeySGTIDGYAQNRMPV-UHFFFAOYSA-N
XLogP3.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole (CID 14742534) is 4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole is COc1cccc(-c2csc(Cc3nc[nH]c3C)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The InChIKey is SGTIDGYAQNRMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-13(17-9-16-10)7-15-18-14(8-20-15)11-4-3-5-12(6-11)19-2/h3-6,8-9H,7H2,1-2H3,(H,16,17).
What are the key properties of 4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole has a molecular weight of 285.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 14742534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).