2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide

C18H15F3N4O2S — CID 90510136

IUPAC2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Nc2nc(C(=O)NCc3ccccc3OC(F)(F)F)cs2)n1
InChIInChI=1S/C18H15F3N4O2S/c1-11-5-4-8-15(23-11)25-17-24-13(10-28-17)16(26)22-9-12-6-2-3-7-14(12)27-18(19,20)21/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyIUTYIFNMUPMOBG-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.42
Rot. Bonds6

About 2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide

2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 90510136) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID90510136
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC Name2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Nc2nc(C(=O)NCc3ccccc3OC(F)(F)F)cs2)n1
InChIInChI=1S/C18H15F3N4O2S/c1-11-5-4-8-15(23-11)25-17-24-13(10-28-17)16(26)22-9-12-6-2-3-7-14(12)27-18(19,20)21/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyIUTYIFNMUPMOBG-UHFFFAOYSA-N
XLogP4.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 90510136) is 2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is Cc1cccc(Nc2nc(C(=O)NCc3ccccc3OC(F)(F)F)cs2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IUTYIFNMUPMOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c1-11-5-4-8-15(23-11)25-17-24-13(10-28-17)16(26)22-9-12-6-2-3-7-14(12)27-18(19,20)21/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90510136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).