2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide

C22H20F3N3O3S — CID 67208349

IUPAC2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H]1[C@H](O)[C@@H](F)[C@H](c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)O[C@@H]1C
InChIInChI=1S/C22H20F3N3O3S/c1-10-11(2)31-20(18(25)19(10)29)12-6-7-26-8-15(12)27-21(30)16-9-32-22(28-16)17-13(23)4-3-5-14(17)24/h3-11,18-20,29H,1-2H3,(H,27,30)/t10-,11+,18+,19-,20-/m0/s1
InChIKeyJUWSOJOOEKIHRU-PKEKYSRXSA-N
MW463.48 g/mol
LogP4.53
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 67208349) has the molecular formula C22H20F3N3O3S and a molecular weight of 463.48 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID67208349
Molecular FormulaC22H20F3N3O3S
Molecular Weight463.48 g/mol
Exact Mass463.12
IUPAC Name2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H]1[C@H](O)[C@@H](F)[C@H](c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)O[C@@H]1C
InChIInChI=1S/C22H20F3N3O3S/c1-10-11(2)31-20(18(25)19(10)29)12-6-7-26-8-15(12)27-21(30)16-9-32-22(28-16)17-13(23)4-3-5-14(17)24/h3-11,18-20,29H,1-2H3,(H,27,30)/t10-,11+,18+,19-,20-/m0/s1
InChIKeyJUWSOJOOEKIHRU-PKEKYSRXSA-N
XLogP4.53
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 67208349) is 2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide is C[C@@H]1[C@H](O)[C@@H](F)[C@H](c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)O[C@@H]1C.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JUWSOJOOEKIHRU-PKEKYSRXSA-N. The full InChI is InChI=1S/C22H20F3N3O3S/c1-10-11(2)31-20(18(25)19(10)29)12-6-7-26-8-15(12)27-21(30)16-9-32-22(28-16)17-13(23)4-3-5-14(17)24/h3-11,18-20,29H,1-2H3,(H,27,30)/t10-,11+,18+,19-,20-/m0/s1.
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[4-[(2S,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 463.48 g/mol, XLogP of 4.53, 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,3R,4S,5R,6R)-3-fluoro-4-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67208349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).