N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide

C14H11F3N2O2S — CID 25023818

IUPACN-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C14H11F3N2O2S/c1-19(8-9-5-3-2-4-6-9)13(21)10-7-18-12(22-10)11(20)14(15,16)17/h2-7H,8H2,1H3
InChIKeyDBRXECPLYPTYJF-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.16
Rot. Bonds4

About N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide

N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide (PubChem CID 25023818) has the molecular formula C14H11F3N2O2S and a molecular weight of 328.32 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide
PubChem CID25023818
Molecular FormulaC14H11F3N2O2S
Molecular Weight328.32 g/mol
Exact Mass328.05
IUPAC NameN-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C14H11F3N2O2S/c1-19(8-9-5-3-2-4-6-9)13(21)10-7-18-12(22-10)11(20)14(15,16)17/h2-7H,8H2,1H3
InChIKeyDBRXECPLYPTYJF-UHFFFAOYSA-N
XLogP3.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide (CID 25023818) is N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DBRXECPLYPTYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2S/c1-19(8-9-5-3-2-4-6-9)13(21)10-7-18-12(22-10)11(20)14(15,16)17/h2-7H,8H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide?
N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25023818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).