2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide

C22H20F2N6O3S2 — CID 162371697

IUPAC2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2nc3c(N4CCCCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H20F2N6O3S2/c1-33-20-16(29-35(31,32)17-6-5-14(23)10-15(17)24)9-13(11-25-20)21-28-18-19(26-12-27-22(18)34-21)30-7-3-2-4-8-30/h5-6,9-12,29H,2-4,7-8H2,1H3
InChIKeyMZKLUQYBZREHON-UHFFFAOYSA-N
MW518.57 g/mol
LogP4.23
Rot. Bonds6

About 2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 162371697) has the molecular formula C22H20F2N6O3S2 and a molecular weight of 518.57 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID162371697
Molecular FormulaC22H20F2N6O3S2
Molecular Weight518.57 g/mol
Exact Mass518.10
IUPAC Name2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2nc3c(N4CCCCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H20F2N6O3S2/c1-33-20-16(29-35(31,32)17-6-5-14(23)10-15(17)24)9-13(11-25-20)21-28-18-19(26-12-27-22(18)34-21)30-7-3-2-4-8-30/h5-6,9-12,29H,2-4,7-8H2,1H3
InChIKeyMZKLUQYBZREHON-UHFFFAOYSA-N
XLogP4.23
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.57
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide (CID 162371697) is 2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2nc3c(N4CCCCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is MZKLUQYBZREHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O3S2/c1-33-20-16(29-35(31,32)17-6-5-14(23)10-15(17)24)9-13(11-25-20)21-28-18-19(26-12-27-22(18)34-21)30-7-3-2-4-8-30/h5-6,9-12,29H,2-4,7-8H2,1H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 518.57 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 162371697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).