2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide

C22H24F2N4O3S — CID 44623103

IUPAC2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide
SMILESCc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)nc2C(N)=O)ccc1C(C)(C)O
InChIInChI=1S/C22H24F2N4O3S/c1-10-12(22(4,5)31)6-7-15(26-10)27-20-17(18(25)29)28-19(32-20)16-13(23)8-11(9-14(16)24)21(2,3)30/h6-9,30-31H,1-5H3,(H2,25,29)(H,26,27)
InChIKeyHEDWYRYYVHPKCJ-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.09
Rot. Bonds6

About 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide

2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 44623103) has the molecular formula C22H24F2N4O3S and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID44623103
Molecular FormulaC22H24F2N4O3S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Name2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide
SMILESCc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)nc2C(N)=O)ccc1C(C)(C)O
InChIInChI=1S/C22H24F2N4O3S/c1-10-12(22(4,5)31)6-7-15(26-10)27-20-17(18(25)29)28-19(32-20)16-13(23)8-11(9-14(16)24)21(2,3)30/h6-9,30-31H,1-5H3,(H2,25,29)(H,26,27)
InChIKeyHEDWYRYYVHPKCJ-UHFFFAOYSA-N
XLogP4.09
TPSA121.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide (CID 44623103) is 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide is Cc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)nc2C(N)=O)ccc1C(C)(C)O.
What is the InChIKey of 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is HEDWYRYYVHPKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3S/c1-10-12(22(4,5)31)6-7-15(26-10)27-20-17(18(25)29)28-19(32-20)16-13(23)8-11(9-14(16)24)21(2,3)30/h6-9,30-31H,1-5H3,(H2,25,29)(H,26,27).
What are the key properties of 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?
2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44623103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).