2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide

C17H13F3N4O2S — CID 52907422

IUPAC2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C17H13F3N4O2S/c18-17(19,20)26-13-6-2-1-5-11(13)9-22-15(25)12-10-27-16(23-12)24-14-7-3-4-8-21-14/h1-8,10H,9H2,(H,22,25)(H,21,23,24)
InChIKeyHNVXZHMJXBGFHS-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.11
Rot. Bonds6

About 2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide

2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 52907422) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is 2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID52907422
Molecular FormulaC17H13F3N4O2S
Molecular Weight394.38 g/mol
Exact Mass394.07
IUPAC Name2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C17H13F3N4O2S/c18-17(19,20)26-13-6-2-1-5-11(13)9-22-15(25)12-10-27-16(23-12)24-14-7-3-4-8-21-14/h1-8,10H,9H2,(H,22,25)(H,21,23,24)
InChIKeyHNVXZHMJXBGFHS-UHFFFAOYSA-N
XLogP4.11
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 52907422) is 2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)c1csc(Nc2ccccn2)n1.
What is the InChIKey of 2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HNVXZHMJXBGFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c18-17(19,20)26-13-6-2-1-5-11(13)9-22-15(25)12-10-27-16(23-12)24-14-7-3-4-8-21-14/h1-8,10H,9H2,(H,22,25)(H,21,23,24).
What are the key properties of 2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 52907422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).