N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

C20H14F3N5O2S — CID 58095084

IUPACN-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3cccc(OC(F)(F)F)c3)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C20H14F3N5O2S/c1-11(29)27-15-10-13(5-6-24-15)19-28-16(17(31-19)18-25-7-8-26-18)12-3-2-4-14(9-12)30-20(21,22)23/h2-10H,1H3,(H,25,26)(H,24,27,29)
InChIKeyGXXKWIIXALKYPM-UHFFFAOYSA-N
MW445.43 g/mol
LogP5.12
Rot. Bonds5

About N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (PubChem CID 58095084) has the molecular formula C20H14F3N5O2S and a molecular weight of 445.43 g/mol. Its IUPAC name is N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
PubChem CID58095084
Molecular FormulaC20H14F3N5O2S
Molecular Weight445.43 g/mol
Exact Mass445.08
IUPAC NameN-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3cccc(OC(F)(F)F)c3)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C20H14F3N5O2S/c1-11(29)27-15-10-13(5-6-24-15)19-28-16(17(31-19)18-25-7-8-26-18)12-3-2-4-14(9-12)30-20(21,22)23/h2-10H,1H3,(H,25,26)(H,24,27,29)
InChIKeyGXXKWIIXALKYPM-UHFFFAOYSA-N
XLogP5.12
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.43
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (CID 58095084) is N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nc(-c3cccc(OC(F)(F)F)c3)c(-c3ncc[nH]3)s2)ccn1.
What is the InChIKey of N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The InChIKey is GXXKWIIXALKYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2S/c1-11(29)27-15-10-13(5-6-24-15)19-28-16(17(31-19)18-25-7-8-26-18)12-3-2-4-14(9-12)30-20(21,22)23/h2-10H,1H3,(H,25,26)(H,24,27,29).
What are the key properties of N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide has a molecular weight of 445.43 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 58095084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).