N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

C25H24FN5O2S — CID 24955416

IUPACN-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncc(N(C)CCOc3ccc(F)cc3)n2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C25H24FN5O2S/c1-17-23(24(32)28-14-18-6-4-3-5-7-18)34-25(29-17)21-15-27-16-22(30-21)31(2)12-13-33-20-10-8-19(26)9-11-20/h3-11,15-16H,12-14H2,1-2H3,(H,28,32)
InChIKeyCGLGLWNFCHPFKN-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.49
Rot. Bonds9

About N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24955416) has the molecular formula C25H24FN5O2S and a molecular weight of 477.57 g/mol. Its IUPAC name is N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24955416
Molecular FormulaC25H24FN5O2S
Molecular Weight477.57 g/mol
Exact Mass477.16
IUPAC NameN-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncc(N(C)CCOc3ccc(F)cc3)n2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C25H24FN5O2S/c1-17-23(24(32)28-14-18-6-4-3-5-7-18)34-25(29-17)21-15-27-16-22(30-21)31(2)12-13-33-20-10-8-19(26)9-11-20/h3-11,15-16H,12-14H2,1-2H3,(H,28,32)
InChIKeyCGLGLWNFCHPFKN-UHFFFAOYSA-N
XLogP4.49
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 24955416) is N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cncc(N(C)CCOc3ccc(F)cc3)n2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CGLGLWNFCHPFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2S/c1-17-23(24(32)28-14-18-6-4-3-5-7-18)34-25(29-17)21-15-27-16-22(30-21)31(2)12-13-33-20-10-8-19(26)9-11-20/h3-11,15-16H,12-14H2,1-2H3,(H,28,32).
What are the key properties of N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[6-[2-(4-fluorophenoxy)ethyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24955416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).