N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide

C18H14F3N3O2S — CID 177213930

IUPACN-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2COCC(F)F)cs1)c1ccc(F)cn1
InChIInChI=1S/C18H14F3N3O2S/c19-12-5-6-14(22-7-12)17(25)24-18-23-15(10-27-18)13-4-2-1-3-11(13)8-26-9-16(20)21/h1-7,10,16H,8-9H2,(H,23,24,25)
InChIKeyAKUBJYXERJTKFU-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.38
Rot. Bonds7

About N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide

N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 177213930) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide
PubChem CID177213930
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC NameN-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2COCC(F)F)cs1)c1ccc(F)cn1
InChIInChI=1S/C18H14F3N3O2S/c19-12-5-6-14(22-7-12)17(25)24-18-23-15(10-27-18)13-4-2-1-3-11(13)8-26-9-16(20)21/h1-7,10,16H,8-9H2,(H,23,24,25)
InChIKeyAKUBJYXERJTKFU-UHFFFAOYSA-N
XLogP4.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide (CID 177213930) is N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide is O=C(Nc1nc(-c2ccccc2COCC(F)F)cs1)c1ccc(F)cn1.
What is the InChIKey of N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide?
The InChIKey is AKUBJYXERJTKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c19-12-5-6-14(22-7-12)17(25)24-18-23-15(10-27-18)13-4-2-1-3-11(13)8-26-9-16(20)21/h1-7,10,16H,8-9H2,(H,23,24,25).
What are the key properties of N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide?
N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,2-difluoroethoxymethyl)phenyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 177213930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).