N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

C23H20N4OS — CID 24954326

IUPACN-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncc(Cc3ccccc3)n2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H20N4OS/c1-16-21(22(28)25-13-18-10-6-3-7-11-18)29-23(26-16)20-15-24-14-19(27-20)12-17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3,(H,25,28)
InChIKeySNSYNTMEUZSUJK-UHFFFAOYSA-N
MW400.51 g/mol
LogP4.43
Rot. Bonds6

About N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24954326) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24954326
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC NameN-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncc(Cc3ccccc3)n2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H20N4OS/c1-16-21(22(28)25-13-18-10-6-3-7-11-18)29-23(26-16)20-15-24-14-19(27-20)12-17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3,(H,25,28)
InChIKeySNSYNTMEUZSUJK-UHFFFAOYSA-N
XLogP4.43
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24954326) is N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cncc(Cc3ccccc3)n2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SNSYNTMEUZSUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-16-21(22(28)25-13-18-10-6-3-7-11-18)29-23(26-16)20-15-24-14-19(27-20)12-17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3,(H,25,28).
What are the key properties of N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 400.51 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-benzylpyrazin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24954326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).