2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide

C18H13F3N2O2S — CID 89261170

IUPAC2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccccc1-c1nc(-c2ccccc2)c(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C18H13F3N2O2S/c1-25-13-10-6-5-9-12(13)15-22-14(11-7-3-2-4-8-11)16(26-15)23-17(24)18(19,20)21/h2-10H,1H3,(H,23,24)
InChIKeySLAHYNFLHZLDAG-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.99
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide

2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide (PubChem CID 89261170) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
PubChem CID89261170
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC Name2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccccc1-c1nc(-c2ccccc2)c(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C18H13F3N2O2S/c1-25-13-10-6-5-9-12(13)15-22-14(11-7-3-2-4-8-11)16(26-15)23-17(24)18(19,20)21/h2-10H,1H3,(H,23,24)
InChIKeySLAHYNFLHZLDAG-UHFFFAOYSA-N
XLogP4.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide (CID 89261170) is 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide is COc1ccccc1-c1nc(-c2ccccc2)c(NC(=O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is SLAHYNFLHZLDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c1-25-13-10-6-5-9-12(13)15-22-14(11-7-3-2-4-8-11)16(26-15)23-17(24)18(19,20)21/h2-10H,1H3,(H,23,24).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 378.38 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 89261170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).