N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide

C16H15F6N3O2S — CID 10274098

IUPACN-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)C(=O)N(Cc1ccncc1)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C16H15F6N3O2S/c1-9(2)12(26)25(8-10-3-5-23-6-4-10)13-24-7-11(28-13)14(27,15(17,18)19)16(20,21)22/h3-7,9,27H,8H2,1-2H3
InChIKeyYIDQELFNDQVLCQ-UHFFFAOYSA-N
MW427.37 g/mol
LogP4.04
Rot. Bonds5

About N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide

N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 10274098) has the molecular formula C16H15F6N3O2S and a molecular weight of 427.37 g/mol. Its IUPAC name is N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID10274098
Molecular FormulaC16H15F6N3O2S
Molecular Weight427.37 g/mol
Exact Mass427.08
IUPAC NameN-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)C(=O)N(Cc1ccncc1)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C16H15F6N3O2S/c1-9(2)12(26)25(8-10-3-5-23-6-4-10)13-24-7-11(28-13)14(27,15(17,18)19)16(20,21)22/h3-7,9,27H,8H2,1-2H3
InChIKeyYIDQELFNDQVLCQ-UHFFFAOYSA-N
XLogP4.04
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide (CID 10274098) is N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide is CC(C)C(=O)N(Cc1ccncc1)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is YIDQELFNDQVLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F6N3O2S/c1-9(2)12(26)25(8-10-3-5-23-6-4-10)13-24-7-11(28-13)14(27,15(17,18)19)16(20,21)22/h3-7,9,27H,8H2,1-2H3.
What are the key properties of N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 427.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 10274098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).