N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C19H16F2N4O2S — CID 71262723

IUPACN-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1OCC1CNC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C19H16F2N4O2S/c20-12-2-1-3-13(21)17(12)19-25-15(10-28-19)18(26)24-14-8-22-5-4-16(14)27-9-11-6-23-7-11/h1-5,8,10-11,23H,6-7,9H2,(H,24,26)
InChIKeyYTBQJCHZAHBGOV-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.33
Rot. Bonds6

About N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 71262723) has the molecular formula C19H16F2N4O2S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID71262723
Molecular FormulaC19H16F2N4O2S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC NameN-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1OCC1CNC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C19H16F2N4O2S/c20-12-2-1-3-13(21)17(12)19-25-15(10-28-19)18(26)24-14-8-22-5-4-16(14)27-9-11-6-23-7-11/h1-5,8,10-11,23H,6-7,9H2,(H,24,26)
InChIKeyYTBQJCHZAHBGOV-UHFFFAOYSA-N
XLogP3.33
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 71262723) is N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1OCC1CNC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YTBQJCHZAHBGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2S/c20-12-2-1-3-13(21)17(12)19-25-15(10-28-19)18(26)24-14-8-22-5-4-16(14)27-9-11-6-23-7-11/h1-5,8,10-11,23H,6-7,9H2,(H,24,26).
What are the key properties of N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-ylmethoxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).