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

C16H18N6S — CID 110099734

IUPAC4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2cnc(C3CCCN3Cc3cscn3)cn2)[nH]1
InChIInChI=1S/C16H18N6S/c1-11-5-19-16(21-11)14-7-17-13(6-18-14)15-3-2-4-22(15)8-12-9-23-10-20-12/h5-7,9-10,15H,2-4,8H2,1H3,(H,19,21)
InChIKeyZUGXDCLMPUAERK-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.97
Rot. Bonds4

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

4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099734) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099734
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2cnc(C3CCCN3Cc3cscn3)cn2)[nH]1
InChIInChI=1S/C16H18N6S/c1-11-5-19-16(21-11)14-7-17-13(6-18-14)15-3-2-4-22(15)8-12-9-23-10-20-12/h5-7,9-10,15H,2-4,8H2,1H3,(H,19,21)
InChIKeyZUGXDCLMPUAERK-UHFFFAOYSA-N
XLogP2.97
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 110099734) is 4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is Cc1cnc(-c2cnc(C3CCCN3Cc3cscn3)cn2)[nH]1.
What is the InChIKey of 4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is ZUGXDCLMPUAERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-11-5-19-16(21-11)14-7-17-13(6-18-14)15-3-2-4-22(15)8-12-9-23-10-20-12/h5-7,9-10,15H,2-4,8H2,1H3,(H,19,21).
What are the key properties of 4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 326.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).