N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide

C18H14F3N3OS — CID 159715925

IUPACN-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1
InChIInChI=1S/C18H14F3N3OS/c1-11(25)23-16-6-5-13(9-22-16)15-10-26-17(24-15)8-12-3-2-4-14(7-12)18(19,20)21/h2-7,9-10H,8H2,1H3,(H,22,23,25)
InChIKeyMTWVTBGYDLWBAQ-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.77
Rot. Bonds4

About N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide

N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 159715925) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
PubChem CID159715925
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC NameN-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1
InChIInChI=1S/C18H14F3N3OS/c1-11(25)23-16-6-5-13(9-22-16)15-10-26-17(24-15)8-12-3-2-4-14(7-12)18(19,20)21/h2-7,9-10H,8H2,1H3,(H,22,23,25)
InChIKeyMTWVTBGYDLWBAQ-UHFFFAOYSA-N
XLogP4.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide (CID 159715925) is N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1.
What is the InChIKey of N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is MTWVTBGYDLWBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c1-11(25)23-16-6-5-13(9-22-16)15-10-26-17(24-15)8-12-3-2-4-14(7-12)18(19,20)21/h2-7,9-10H,8H2,1H3,(H,22,23,25).
What are the key properties of N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?
N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 377.39 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 159715925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).