N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

C18H17BrN4O2S — CID 167386355

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)N[C@H](C)c3cccc(Br)c3)s2)n1
InChIInChI=1S/C18H17BrN4O2S/c1-3-25-16-10-20-8-14(23-16)15-9-21-18(26-15)17(24)22-11(2)12-5-4-6-13(19)7-12/h4-11H,3H2,1-2H3,(H,22,24)/t11-/m1/s1
InChIKeyUGKJVPUMKFOZDR-LLVKDONJSA-N
MW433.33 g/mol
LogP4.25
Rot. Bonds6

About N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 167386355) has the molecular formula C18H17BrN4O2S and a molecular weight of 433.33 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID167386355
Molecular FormulaC18H17BrN4O2S
Molecular Weight433.33 g/mol
Exact Mass432.03
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)N[C@H](C)c3cccc(Br)c3)s2)n1
InChIInChI=1S/C18H17BrN4O2S/c1-3-25-16-10-20-8-14(23-16)15-9-21-18(26-15)17(24)22-11(2)12-5-4-6-13(19)7-12/h4-11H,3H2,1-2H3,(H,22,24)/t11-/m1/s1
InChIKeyUGKJVPUMKFOZDR-LLVKDONJSA-N
XLogP4.25
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 167386355) is N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)N[C@H](C)c3cccc(Br)c3)s2)n1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is UGKJVPUMKFOZDR-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17BrN4O2S/c1-3-25-16-10-20-8-14(23-16)15-9-21-18(26-15)17(24)22-11(2)12-5-4-6-13(19)7-12/h4-11H,3H2,1-2H3,(H,22,24)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 433.33 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 167386355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).