2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide

C23H26FN5O4S2 — CID 150584688

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C23H26FN5O4S2/c1-13(2)33-20-11-25-10-18(26-20)14-5-8-17(16(24)9-14)27-21(30)23(3,4)19-12-34-22(28-19)29-35(31,32)15-6-7-15/h5,8-13,15H,6-7H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyIOPBFGGEYYIKPZ-UHFFFAOYSA-N
MW519.62 g/mol
LogP4.35
Rot. Bonds9

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide (PubChem CID 150584688) has the molecular formula C23H26FN5O4S2 and a molecular weight of 519.62 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide
PubChem CID150584688
Molecular FormulaC23H26FN5O4S2
Molecular Weight519.62 g/mol
Exact Mass519.14
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C23H26FN5O4S2/c1-13(2)33-20-11-25-10-18(26-20)14-5-8-17(16(24)9-14)27-21(30)23(3,4)19-12-34-22(28-19)29-35(31,32)15-6-7-15/h5,8-13,15H,6-7H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyIOPBFGGEYYIKPZ-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide (CID 150584688) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide is CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is IOPBFGGEYYIKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S2/c1-13(2)33-20-11-25-10-18(26-20)14-5-8-17(16(24)9-14)27-21(30)23(3,4)19-12-34-22(28-19)29-35(31,32)15-6-7-15/h5,8-13,15H,6-7H2,1-4H3,(H,27,30)(H,28,29).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 519.62 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 150584688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).