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N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

C20H21F2N5O4S2 — CID 163271370

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NC(C)(C)c3cccc(NS(=O)(=O)C(F)F)c3)s2)n1
InChIInChI=1S/C20H21F2N5O4S2/c1-4-31-16-11-23-9-14(25-16)15-10-24-18(32-15)17(28)26-20(2,3)12-6-5-7-13(8-12)27-33(29,30)19(21)22/h5-11,19,27H,4H2,1-3H3,(H,26,28)
InChIKeyCXSXCPWNBMNRBQ-UHFFFAOYSA-N
MW497.55 g/mol
LogP3.63
Rot. Bonds9

About N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 163271370) has the molecular formula C20H21F2N5O4S2 and a molecular weight of 497.55 g/mol. Its IUPAC name is N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID163271370
Molecular FormulaC20H21F2N5O4S2
Molecular Weight497.55 g/mol
Exact Mass497.10
IUPAC NameN-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NC(C)(C)c3cccc(NS(=O)(=O)C(F)F)c3)s2)n1
InChIInChI=1S/C20H21F2N5O4S2/c1-4-31-16-11-23-9-14(25-16)15-10-24-18(32-15)17(28)26-20(2,3)12-6-5-7-13(8-12)27-33(29,30)19(21)22/h5-11,19,27H,4H2,1-3H3,(H,26,28)
InChIKeyCXSXCPWNBMNRBQ-UHFFFAOYSA-N
XLogP3.63
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 163271370) is N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)NC(C)(C)c3cccc(NS(=O)(=O)C(F)F)c3)s2)n1.
What is the InChIKey of N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is CXSXCPWNBMNRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O4S2/c1-4-31-16-11-23-9-14(25-16)15-10-24-18(32-15)17(28)26-20(2,3)12-6-5-7-13(8-12)27-33(29,30)19(21)22/h5-11,19,27H,4H2,1-3H3,(H,26,28).
What are the key properties of N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 497.55 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(difluoromethylsulfonylamino)phenyl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 163271370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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