N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide

C20H15F6N3OS — CID 24658292

IUPACN-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H15F6N3OS/c21-19(22,23)14-6-13(7-15(9-14)20(24,25)26)8-16-11-28-18(31-16)29-17(30)4-3-12-2-1-5-27-10-12/h1-2,5-7,9-11H,3-4,8H2,(H,28,29,30)
InChIKeyZHVKROJXPYAVCN-UHFFFAOYSA-N
MW459.42 g/mol
LogP5.74
Rot. Bonds6

About N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide

N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide (PubChem CID 24658292) has the molecular formula C20H15F6N3OS and a molecular weight of 459.42 g/mol. Its IUPAC name is N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
PubChem CID24658292
Molecular FormulaC20H15F6N3OS
Molecular Weight459.42 g/mol
Exact Mass459.08
IUPAC NameN-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H15F6N3OS/c21-19(22,23)14-6-13(7-15(9-14)20(24,25)26)8-16-11-28-18(31-16)29-17(30)4-3-12-2-1-5-27-10-12/h1-2,5-7,9-11H,3-4,8H2,(H,28,29,30)
InChIKeyZHVKROJXPYAVCN-UHFFFAOYSA-N
XLogP5.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.42
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 57414113
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 60578895
4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 37038090
2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
benzyl [2-methyl-4-[[2-(3-pyridin-3-ylpropanoylamino)-1,3-thiazol-5-yl]methyl]phenyl] carbonate
CID 88589492
3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119698306
4-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 119278170
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 24573134
N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 43066526
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 134384658
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
CID 60509519

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide (CID 24658292) is N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is ZHVKROJXPYAVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N3OS/c21-19(22,23)14-6-13(7-15(9-14)20(24,25)26)8-16-11-28-18(31-16)29-17(30)4-3-12-2-1-5-27-10-12/h1-2,5-7,9-11H,3-4,8H2,(H,28,29,30).
What are the key properties of N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide?
N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 459.42 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 24658292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).