5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C21H22F4N6O2S — CID 118270713

IUPAC5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC1O[C@@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC(F)(F)C1(C)N
InChIInChI=1S/C21H22F4N6O2S/c1-9-20(2,27)21(24,25)7-13(33-9)16-12(8-28-31(16)3)29-18(32)15-17(26)34-19(30-15)14-10(22)5-4-6-11(14)23/h4-6,8-9,13H,7,26-27H2,1-3H3,(H,29,32)/t9?,13-,20?/m1/s1
InChIKeyDQYDGUKDAQWPGW-VBLAJHCMSA-N
MW498.51 g/mol
LogP3.86
Rot. Bonds4

About 5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 118270713) has the molecular formula C21H22F4N6O2S and a molecular weight of 498.51 g/mol. Its IUPAC name is 5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID118270713
Molecular FormulaC21H22F4N6O2S
Molecular Weight498.51 g/mol
Exact Mass498.15
IUPAC Name5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC1O[C@@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC(F)(F)C1(C)N
InChIInChI=1S/C21H22F4N6O2S/c1-9-20(2,27)21(24,25)7-13(33-9)16-12(8-28-31(16)3)29-18(32)15-17(26)34-19(30-15)14-10(22)5-4-6-11(14)23/h4-6,8-9,13H,7,26-27H2,1-3H3,(H,29,32)/t9?,13-,20?/m1/s1
InChIKeyDQYDGUKDAQWPGW-VBLAJHCMSA-N
XLogP3.86
TPSA121.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

5-amino-N-[5-[(5S,6R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 73437870
5-amino-2-(2,6-difluorophenyl)-N-[5-(5-fluorooxepan-2-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 144595114
5-amino-N-[5-(5-amino-6-methoxyoxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123862988
5-amino-N-[5-[(5S,6R)-5-amino-6-methoxyoxepan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 90071998
5-amino-N-[5-[(2R,4S,5S)-5-amino-4-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 90072677
5-amino-N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 86713957
5-amino-N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 86713928
5-amino-2-(2,6-difluorophenyl)-N-[5-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58465084
5-amino-N-[5-[(2S,5R,6R)-5-amino-6-methoxyoxepan-2-yl]-1-methylpyrazol-4-yl]-2-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 86713933
5-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482333
5-amino-2-(2,6-difluorophenyl)-N-[5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 67437258
5-amino-2-(2,6-difluorophenyl)-N-[5-[(3S)-3-fluoropyrrolidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58464735

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 118270713) is 5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is CC1O[C@@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC(F)(F)C1(C)N.
What is the InChIKey of 5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DQYDGUKDAQWPGW-VBLAJHCMSA-N. The full InChI is InChI=1S/C21H22F4N6O2S/c1-9-20(2,27)21(24,25)7-13(33-9)16-12(8-28-31(16)3)29-18(32)15-17(26)34-19(30-15)14-10(22)5-4-6-11(14)23/h4-6,8-9,13H,7,26-27H2,1-3H3,(H,29,32)/t9?,13-,20?/m1/s1.
What are the key properties of 5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 498.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-[(2R)-5-amino-4,4-difluoro-5,6-dimethyloxan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118270713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).