2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole

C19H16N4OS — CID 27460683

IUPAC2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole
SMILESCOc1cccc(-n2nnc(-c3nc(-c4ccccc4)cs3)c2C)c1
InChIInChI=1S/C19H16N4OS/c1-13-18(19-20-17(12-25-19)14-7-4-3-5-8-14)21-22-23(13)15-9-6-10-16(11-15)24-2/h3-12H,1-2H3
InChIKeyLUGXLKZCPNRTGX-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.37
Rot. Bonds4

About 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole

2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole (PubChem CID 27460683) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole
PubChem CID27460683
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole
SMILESCOc1cccc(-n2nnc(-c3nc(-c4ccccc4)cs3)c2C)c1
InChIInChI=1S/C19H16N4OS/c1-13-18(19-20-17(12-25-19)14-7-4-3-5-8-14)21-22-23(13)15-9-6-10-16(11-15)24-2/h3-12H,1-2H3
InChIKeyLUGXLKZCPNRTGX-UHFFFAOYSA-N
XLogP4.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole (CID 27460683) is 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole is COc1cccc(-n2nnc(-c3nc(-c4ccccc4)cs3)c2C)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole?
The InChIKey is LUGXLKZCPNRTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-18(19-20-17(12-25-19)14-7-4-3-5-8-14)21-22-23(13)15-9-6-10-16(11-15)24-2/h3-12H,1-2H3.
What are the key properties of 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole?
2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole has a molecular weight of 348.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 27460683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).