N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

C15H15F3N2OS — CID 22170729

IUPACN-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H15F3N2OS/c1-9(2)12-8-19-14(22-12)20-13(21)7-10-4-3-5-11(6-10)15(16,17)18/h3-6,8-9H,7H2,1-2H3,(H,19,20,21)
InChIKeyBHJQVJOYIQZIAY-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.47
Rot. Bonds4

About N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 22170729) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID22170729
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC NameN-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H15F3N2OS/c1-9(2)12-8-19-14(22-12)20-13(21)7-10-4-3-5-11(6-10)15(16,17)18/h3-6,8-9H,7H2,1-2H3,(H,19,20,21)
InChIKeyBHJQVJOYIQZIAY-UHFFFAOYSA-N
XLogP4.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 22170729) is N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is CC(C)c1cnc(NC(=O)Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BHJQVJOYIQZIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c1-9(2)12-8-19-14(22-12)20-13(21)7-10-4-3-5-11(6-10)15(16,17)18/h3-6,8-9H,7H2,1-2H3,(H,19,20,21).
What are the key properties of N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 328.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 22170729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).