5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole

C17H20N6S — CID 110099694

IUPAC5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCC(Cc2cncc(-c3ncc[nH]3)n2)C1
InChIInChI=1S/C17H20N6S/c1-12-16(24-11-21-12)10-23-5-2-13(9-23)6-14-7-18-8-15(22-14)17-19-3-4-20-17/h3-4,7-8,11,13H,2,5-6,9-10H2,1H3,(H,19,20)
InChIKeyDIINUAMZRIUUTF-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.70
Rot. Bonds5

About 5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole

5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 110099694) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID110099694
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCC(Cc2cncc(-c3ncc[nH]3)n2)C1
InChIInChI=1S/C17H20N6S/c1-12-16(24-11-21-12)10-23-5-2-13(9-23)6-14-7-18-8-15(22-14)17-19-3-4-20-17/h3-4,7-8,11,13H,2,5-6,9-10H2,1H3,(H,19,20)
InChIKeyDIINUAMZRIUUTF-UHFFFAOYSA-N
XLogP2.70
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 110099694) is 5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCC(Cc2cncc(-c3ncc[nH]3)n2)C1.
What is the InChIKey of 5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is DIINUAMZRIUUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-16(24-11-21-12)10-23-5-2-13(9-23)6-14-7-18-8-15(22-14)17-19-3-4-20-17/h3-4,7-8,11,13H,2,5-6,9-10H2,1H3,(H,19,20).
What are the key properties of 5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole?
5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 110099694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).