2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide

C23H26FN5O4S2 — CID 149041264

IUPAC2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3nc(NS(=O)(=O)C4CC4)sc3C)c(F)c2)n1
InChIInChI=1S/C23H26FN5O4S2/c1-5-33-19-12-25-11-18(26-19)14-6-9-17(16(24)10-14)27-21(30)23(3,4)20-13(2)34-22(28-20)29-35(31,32)15-7-8-15/h6,9-12,15H,5,7-8H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyQHPXSXGPSAMFSH-UHFFFAOYSA-N
MW519.62 g/mol
LogP4.27
Rot. Bonds9

About 2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide

2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide (PubChem CID 149041264) has the molecular formula C23H26FN5O4S2 and a molecular weight of 519.62 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide
PubChem CID149041264
Molecular FormulaC23H26FN5O4S2
Molecular Weight519.62 g/mol
Exact Mass519.14
IUPAC Name2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3nc(NS(=O)(=O)C4CC4)sc3C)c(F)c2)n1
InChIInChI=1S/C23H26FN5O4S2/c1-5-33-19-12-25-11-18(26-19)14-6-9-17(16(24)10-14)27-21(30)23(3,4)20-13(2)34-22(28-20)29-35(31,32)15-7-8-15/h6,9-12,15H,5,7-8H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyQHPXSXGPSAMFSH-UHFFFAOYSA-N
XLogP4.27
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide (CID 149041264) is 2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide is CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3nc(NS(=O)(=O)C4CC4)sc3C)c(F)c2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide?
The InChIKey is QHPXSXGPSAMFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S2/c1-5-33-19-12-25-11-18(26-19)14-6-9-17(16(24)10-14)27-21(30)23(3,4)20-13(2)34-22(28-20)29-35(31,32)15-7-8-15/h6,9-12,15H,5,7-8H2,1-4H3,(H,27,30)(H,28,29).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide?
2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide has a molecular weight of 519.62 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide is sourced from PubChem (CID 149041264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).