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

C17H23N5OS — CID 135135432

IUPACN-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3nc(C)cnc3C)C2)s1
InChIInChI=1S/C17H23N5OS/c1-11-7-18-12(2)16(20-11)6-14-4-5-22(9-14)10-15-8-19-17(24-15)21-13(3)23/h7-8,14H,4-6,9-10H2,1-3H3,(H,19,21,23)
InChIKeyPPTNPTDJQYQANH-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.57
Rot. Bonds5

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

N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135135432) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135135432
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3nc(C)cnc3C)C2)s1
InChIInChI=1S/C17H23N5OS/c1-11-7-18-12(2)16(20-11)6-14-4-5-22(9-14)10-15-8-19-17(24-15)21-13(3)23/h7-8,14H,4-6,9-10H2,1-3H3,(H,19,21,23)
InChIKeyPPTNPTDJQYQANH-UHFFFAOYSA-N
XLogP2.57
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135135432) is N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(Cc3nc(C)cnc3C)C2)s1.
What is the InChIKey of N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PPTNPTDJQYQANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-7-18-12(2)16(20-11)6-14-4-5-22(9-14)10-15-8-19-17(24-15)21-13(3)23/h7-8,14H,4-6,9-10H2,1-3H3,(H,19,21,23).
What are the key properties of N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135135432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).