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

C20H17F2N3O3S — CID 67208308

IUPAC2-(2,6-difluorophenyl)-N-[4-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1[C@@H]1C[C@H](O)CCO1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H17F2N3O3S/c21-13-2-1-3-14(22)18(13)20-25-16(10-29-20)19(27)24-15-9-23-6-4-12(15)17-8-11(26)5-7-28-17/h1-4,6,9-11,17,26H,5,7-8H2,(H,24,27)/t11-,17+/m1/s1
InChIKeyNAWXRESVGAKSNV-DIFFPNOSSA-N
MW417.44 g/mol
LogP3.95
Rot. Bonds4

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

2-(2,6-difluorophenyl)-N-[4-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 67208308) has the molecular formula C20H17F2N3O3S and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID67208308
Molecular FormulaC20H17F2N3O3S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name2-(2,6-difluorophenyl)-N-[4-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1[C@@H]1C[C@H](O)CCO1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H17F2N3O3S/c21-13-2-1-3-14(22)18(13)20-25-16(10-29-20)19(27)24-15-9-23-6-4-12(15)17-8-11(26)5-7-28-17/h1-4,6,9-11,17,26H,5,7-8H2,(H,24,27)/t11-,17+/m1/s1
InChIKeyNAWXRESVGAKSNV-DIFFPNOSSA-N
XLogP3.95
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.95
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-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 67208308) is 2-(2,6-difluorophenyl)-N-[4-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1[C@@H]1C[C@H](O)CCO1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NAWXRESVGAKSNV-DIFFPNOSSA-N. The full InChI is InChI=1S/C20H17F2N3O3S/c21-13-2-1-3-14(22)18(13)20-25-16(10-29-20)19(27)24-15-9-23-6-4-12(15)17-8-11(26)5-7-28-17/h1-4,6,9-11,17,26H,5,7-8H2,(H,24,27)/t11-,17+/m1/s1.
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[4-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 3.95, 4 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-[(2S,4R)-4-hydroxyoxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67208308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).