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

C19H16F2N4O2S — CID 71262654

IUPAC2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1O[C@H]1CCNC1)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)24-14-9-23-7-5-16(14)27-11-4-6-22-8-11/h1-3,5,7,9-11,22H,4,6,8H2,(H,24,26)/t11-/m0/s1
InChIKeyDNXZIJKGPFJRAA-NSHDSACASA-N
MW402.43 g/mol
LogP3.48
Rot. Bonds5

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

2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 71262654) has the molecular formula C19H16F2N4O2S and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID71262654
Molecular FormulaC19H16F2N4O2S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC Name2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1O[C@H]1CCNC1)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)24-14-9-23-7-5-16(14)27-11-4-6-22-8-11/h1-3,5,7,9-11,22H,4,6,8H2,(H,24,26)/t11-/m0/s1
InChIKeyDNXZIJKGPFJRAA-NSHDSACASA-N
XLogP3.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 71262654) is 2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1O[C@H]1CCNC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DNXZIJKGPFJRAA-NSHDSACASA-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)24-14-9-23-7-5-16(14)27-11-4-6-22-8-11/h1-3,5,7,9-11,22H,4,6,8H2,(H,24,26)/t11-/m0/s1.
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).