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

C18H17F2N5O4S2 — CID 163271137

IUPACN-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NCc3cccc(NS(=O)(=O)C(F)F)c3)s2)n1
InChIInChI=1S/C18H17F2N5O4S2/c1-2-29-15-10-21-8-13(24-15)14-9-23-17(30-14)16(26)22-7-11-4-3-5-12(6-11)25-31(27,28)18(19)20/h3-6,8-10,18,25H,2,7H2,1H3,(H,22,26)
InChIKeyDLTDDCKCNUANCW-UHFFFAOYSA-N
MW469.50 g/mol
LogP2.89
Rot. Bonds9

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

N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 163271137) has the molecular formula C18H17F2N5O4S2 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID163271137
Molecular FormulaC18H17F2N5O4S2
Molecular Weight469.50 g/mol
Exact Mass469.07
IUPAC NameN-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NCc3cccc(NS(=O)(=O)C(F)F)c3)s2)n1
InChIInChI=1S/C18H17F2N5O4S2/c1-2-29-15-10-21-8-13(24-15)14-9-23-17(30-14)16(26)22-7-11-4-3-5-12(6-11)25-31(27,28)18(19)20/h3-6,8-10,18,25H,2,7H2,1H3,(H,22,26)
InChIKeyDLTDDCKCNUANCW-UHFFFAOYSA-N
XLogP2.89
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 163271137) is N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)NCc3cccc(NS(=O)(=O)C(F)F)c3)s2)n1.
What is the InChIKey of N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is DLTDDCKCNUANCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O4S2/c1-2-29-15-10-21-8-13(24-15)14-9-23-17(30-14)16(26)22-7-11-4-3-5-12(6-11)25-31(27,28)18(19)20/h3-6,8-10,18,25H,2,7H2,1H3,(H,22,26).
What are the key properties of N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 163271137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).