N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H21N5O2S — CID 135135387

IUPACN-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cncc(CC2CCN(Cc3cnc(NC(C)=O)s3)C2)n1
InChIInChI=1S/C16H21N5O2S/c1-11(22)19-16-18-7-14(24-16)10-21-4-3-12(9-21)5-13-6-17-8-15(20-13)23-2/h6-8,12H,3-5,9-10H2,1-2H3,(H,18,19,22)
InChIKeyYUYQNWVAZZTOBT-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.96
Rot. Bonds6

About N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135135387) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135135387
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cncc(CC2CCN(Cc3cnc(NC(C)=O)s3)C2)n1
InChIInChI=1S/C16H21N5O2S/c1-11(22)19-16-18-7-14(24-16)10-21-4-3-12(9-21)5-13-6-17-8-15(20-13)23-2/h6-8,12H,3-5,9-10H2,1-2H3,(H,18,19,22)
InChIKeyYUYQNWVAZZTOBT-UHFFFAOYSA-N
XLogP1.96
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135135387) is N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is COc1cncc(CC2CCN(Cc3cnc(NC(C)=O)s3)C2)n1.
What is the InChIKey of N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YUYQNWVAZZTOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11(22)19-16-18-7-14(24-16)10-21-4-3-12(9-21)5-13-6-17-8-15(20-13)23-2/h6-8,12H,3-5,9-10H2,1-2H3,(H,18,19,22).
What are the key properties of N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135135387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).