5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide

C19H17F2N5O2S — CID 71262754

IUPAC5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1O[C@H]1CCNC1
InChIInChI=1S/C19H17F2N5O2S/c20-11-2-1-3-12(21)15(11)19-26-16(17(22)29-19)18(27)25-13-9-24-7-5-14(13)28-10-4-6-23-8-10/h1-3,5,7,9-10,23H,4,6,8,22H2,(H,25,27)/t10-/m0/s1
InChIKeyQSNACFYJEZLGIS-JTQLQIEISA-N
MW417.44 g/mol
LogP3.06
Rot. Bonds5

About 5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide

5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 71262754) has the molecular formula C19H17F2N5O2S and a molecular weight of 417.44 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID71262754
Molecular FormulaC19H17F2N5O2S
Molecular Weight417.44 g/mol
Exact Mass417.11
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1O[C@H]1CCNC1
InChIInChI=1S/C19H17F2N5O2S/c20-11-2-1-3-12(21)15(11)19-26-16(17(22)29-19)18(27)25-13-9-24-7-5-14(13)28-10-4-6-23-8-10/h1-3,5,7,9-10,23H,4,6,8,22H2,(H,25,27)/t10-/m0/s1
InChIKeyQSNACFYJEZLGIS-JTQLQIEISA-N
XLogP3.06
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 71262754) is 5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide is Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1O[C@H]1CCNC1.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QSNACFYJEZLGIS-JTQLQIEISA-N. The full InChI is InChI=1S/C19H17F2N5O2S/c20-11-2-1-3-12(21)15(11)19-26-16(17(22)29-19)18(27)25-13-9-24-7-5-14(13)28-10-4-6-23-8-10/h1-3,5,7,9-10,23H,4,6,8,22H2,(H,25,27)/t10-/m0/s1.
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).