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

C17H20N6S — CID 110099687

IUPAC5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCCN(Cc3cncs3)C2)n1
InChIInChI=1S/C17H20N6S/c1-12-21-15(7-16(22-12)17-19-4-5-20-17)13-3-2-6-23(9-13)10-14-8-18-11-24-14/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3,(H,19,20)
InChIKeyUAOVGCNHPINPIL-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.01
Rot. Bonds4

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

5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099687) 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)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099687
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCCN(Cc3cncs3)C2)n1
InChIInChI=1S/C17H20N6S/c1-12-21-15(7-16(22-12)17-19-4-5-20-17)13-3-2-6-23(9-13)10-14-8-18-11-24-14/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3,(H,19,20)
InChIKeyUAOVGCNHPINPIL-UHFFFAOYSA-N
XLogP3.01
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-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-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 110099687) is 5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1nc(-c2ncc[nH]2)cc(C2CCCN(Cc3cncs3)C2)n1.
What is the InChIKey of 5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is UAOVGCNHPINPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-21-15(7-16(22-12)17-19-4-5-20-17)13-3-2-6-23(9-13)10-14-8-18-11-24-14/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3,(H,19,20).
What are the key properties of 5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 3.01, 4 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)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).