3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

C18H14F3N3OS — CID 110330068

IUPAC3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1csc(-c2ccncc2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3OS/c19-18(20,21)13-2-1-3-14(10-13)23-16(25)5-4-15-11-26-17(24-15)12-6-8-22-9-7-12/h1-3,6-11H,4-5H2,(H,23,25)
InChIKeyDGYBVFGKGHFZEA-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.80
Rot. Bonds5

About 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 110330068) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID110330068
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC Name3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1csc(-c2ccncc2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3OS/c19-18(20,21)13-2-1-3-14(10-13)23-16(25)5-4-15-11-26-17(24-15)12-6-8-22-9-7-12/h1-3,6-11H,4-5H2,(H,23,25)
InChIKeyDGYBVFGKGHFZEA-UHFFFAOYSA-N
XLogP4.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
CID 110330071
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 46589853
N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330056
2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110389693
3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110388516
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701201
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110675542
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3004190
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110608052

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 110330068) is 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCc1csc(-c2ccncc2)n1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DGYBVFGKGHFZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c19-18(20,21)13-2-1-3-14(10-13)23-16(25)5-4-15-11-26-17(24-15)12-6-8-22-9-7-12/h1-3,6-11H,4-5H2,(H,23,25).
What are the key properties of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 377.39 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 110330068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).