4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C19H15F3N6O3S — CID 59481269

IUPAC4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cnn(Cc3ccc(C(F)(F)F)o3)c2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C19H15F3N6O3S/c1-11-15(16(29)24-8-12-3-2-6-23-7-12)32-17(26-11)27-10-25-28(18(27)30)9-13-4-5-14(31-13)19(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,29)
InChIKeyLPAJOYDKNFPBIJ-UHFFFAOYSA-N
MW464.43 g/mol
LogP2.78
Rot. Bonds6

About 4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59481269) has the molecular formula C19H15F3N6O3S and a molecular weight of 464.43 g/mol. Its IUPAC name is 4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID59481269
Molecular FormulaC19H15F3N6O3S
Molecular Weight464.43 g/mol
Exact Mass464.09
IUPAC Name4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cnn(Cc3ccc(C(F)(F)F)o3)c2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C19H15F3N6O3S/c1-11-15(16(29)24-8-12-3-2-6-23-7-12)32-17(26-11)27-10-25-28(18(27)30)9-13-4-5-14(31-13)19(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,29)
InChIKeyLPAJOYDKNFPBIJ-UHFFFAOYSA-N
XLogP2.78
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 59481269) is 4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-n2cnn(Cc3ccc(C(F)(F)F)o3)c2=O)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LPAJOYDKNFPBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O3S/c1-11-15(16(29)24-8-12-3-2-6-23-7-12)32-17(26-11)27-10-25-28(18(27)30)9-13-4-5-14(31-13)19(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,29).
What are the key properties of 4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 464.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59481269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).