N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H18N6OS — CID 135135161

IUPACN-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3cnc(C#N)cn3)C2)s1
InChIInChI=1S/C16H18N6OS/c1-11(23)21-16-20-8-15(24-16)10-22-3-2-12(9-22)4-13-6-19-14(5-17)7-18-13/h6-8,12H,2-4,9-10H2,1H3,(H,20,21,23)
InChIKeyHPQKIHMZXVEUGY-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.83
Rot. Bonds5

About N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135135161) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135135161
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3cnc(C#N)cn3)C2)s1
InChIInChI=1S/C16H18N6OS/c1-11(23)21-16-20-8-15(24-16)10-22-3-2-12(9-22)4-13-6-19-14(5-17)7-18-13/h6-8,12H,2-4,9-10H2,1H3,(H,20,21,23)
InChIKeyHPQKIHMZXVEUGY-UHFFFAOYSA-N
XLogP1.83
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135301762
2-[2-[3-[(4-Methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110258409
2-Methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270520
N-[5-[[4-[2-(6-methylpyrazin-2-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377629
N-[5-[[(3S)-3-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491228
N-[5-[[3-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500236
N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142375492
N-[5-[[3-[(5,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135154
N-[5-[[3-[(5,6-dimethylpyrazin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135167
N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135387
N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135432
5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-N-tert-butylpyrazine-2-carboxamide
CID 135135438

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135135161) is N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(Cc3cnc(C#N)cn3)C2)s1.
What is the InChIKey of N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HPQKIHMZXVEUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11(23)21-16-20-8-15(24-16)10-22-3-2-12(9-22)4-13-6-19-14(5-17)7-18-13/h6-8,12H,2-4,9-10H2,1H3,(H,20,21,23).
What are the key properties of N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 342.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135135161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).