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

C16H18N6S — CID 110099993

IUPAC5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1c[nH]c(-c2nccnc2C2CCN(Cc3cncs3)CC2)n1
InChIInChI=1S/C16H18N6S/c1-7-22(10-13-9-17-11-23-13)8-2-12(1)14-15(19-4-3-18-14)16-20-5-6-21-16/h3-6,9,11-12H,1-2,7-8,10H2,(H,20,21)
InChIKeyGCAXHGLOYCPLHV-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.70
Rot. Bonds4

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

5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099993) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099993
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1c[nH]c(-c2nccnc2C2CCN(Cc3cncs3)CC2)n1
InChIInChI=1S/C16H18N6S/c1-7-22(10-13-9-17-11-23-13)8-2-12(1)14-15(19-4-3-18-14)16-20-5-6-21-16/h3-6,9,11-12H,1-2,7-8,10H2,(H,20,21)
InChIKeyGCAXHGLOYCPLHV-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 110099993) is 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole is c1c[nH]c(-c2nccnc2C2CCN(Cc3cncs3)CC2)n1.
What is the InChIKey of 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is GCAXHGLOYCPLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-7-22(10-13-9-17-11-23-13)8-2-12(1)14-15(19-4-3-18-14)16-20-5-6-21-16/h3-6,9,11-12H,1-2,7-8,10H2,(H,20,21).
What are the key properties of 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 326.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).