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

C24H18F3N3OS — CID 11619378

IUPACN-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C24H18F3N3OS/c1-2-20-30-21(16-9-6-10-18(13-16)24(25,26)27)22(32-20)17-11-12-28-19(14-17)29-23(31)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,28,29,31)
InChIKeyLQPLVPGSGMDTKQ-UHFFFAOYSA-N
MW453.49 g/mol
LogP6.71
Rot. Bonds5

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

N-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 11619378) has the molecular formula C24H18F3N3OS and a molecular weight of 453.49 g/mol. Its IUPAC name is N-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
PubChem CID11619378
Molecular FormulaC24H18F3N3OS
Molecular Weight453.49 g/mol
Exact Mass453.11
IUPAC NameN-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C24H18F3N3OS/c1-2-20-30-21(16-9-6-10-18(13-16)24(25,26)27)22(32-20)17-11-12-28-19(14-17)29-23(31)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,28,29,31)
InChIKeyLQPLVPGSGMDTKQ-UHFFFAOYSA-N
XLogP6.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.49
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (CID 11619378) is N-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is CCc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is LQPLVPGSGMDTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3OS/c1-2-20-30-21(16-9-6-10-18(13-16)24(25,26)27)22(32-20)17-11-12-28-19(14-17)29-23(31)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,28,29,31).
What are the key properties of N-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
N-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 453.49 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 11619378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).