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

C17H13F3N4O2S — CID 177213980

IUPACN-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2COCC(F)F)cs1)c1ccc(F)cn1
InChIInChI=1S/C17H13F3N4O2S/c18-10-3-4-12(22-6-10)16(25)24-17-23-14(9-27-17)11-2-1-5-21-13(11)7-26-8-15(19)20/h1-6,9,15H,7-8H2,(H,23,24,25)
InChIKeySTGKFDUCHKNQBF-UHFFFAOYSA-N
MW394.38 g/mol
LogP3.77
Rot. Bonds7

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

N-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 177213980) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is N-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide
PubChem CID177213980
Molecular FormulaC17H13F3N4O2S
Molecular Weight394.38 g/mol
Exact Mass394.07
IUPAC NameN-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2COCC(F)F)cs1)c1ccc(F)cn1
InChIInChI=1S/C17H13F3N4O2S/c18-10-3-4-12(22-6-10)16(25)24-17-23-14(9-27-17)11-2-1-5-21-13(11)7-26-8-15(19)20/h1-6,9,15H,7-8H2,(H,23,24,25)
InChIKeySTGKFDUCHKNQBF-UHFFFAOYSA-N
XLogP3.77
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide (CID 177213980) is N-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide is O=C(Nc1nc(-c2cccnc2COCC(F)F)cs1)c1ccc(F)cn1.
What is the InChIKey of N-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide?
The InChIKey is STGKFDUCHKNQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c18-10-3-4-12(22-6-10)16(25)24-17-23-14(9-27-17)11-2-1-5-21-13(11)7-26-8-15(19)20/h1-6,9,15H,7-8H2,(H,23,24,25).
What are the key properties of N-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide?
N-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 177213980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).