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

C17H20N6S — CID 110099659

IUPAC5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(-c2ncc[nH]2)nc(C2CCN(Cc3cncs3)CC2)n1
InChIInChI=1S/C17H20N6S/c1-12-8-15(17-19-4-5-20-17)22-16(21-12)13-2-6-23(7-3-13)10-14-9-18-11-24-14/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,19,20)
InChIKeyWQMRRWGIQLSMDI-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.01
Rot. Bonds4

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

5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099659) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099659
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(-c2ncc[nH]2)nc(C2CCN(Cc3cncs3)CC2)n1
InChIInChI=1S/C17H20N6S/c1-12-8-15(17-19-4-5-20-17)22-16(21-12)13-2-6-23(7-3-13)10-14-9-18-11-24-14/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,19,20)
InChIKeyWQMRRWGIQLSMDI-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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 110099659) is 5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1cc(-c2ncc[nH]2)nc(C2CCN(Cc3cncs3)CC2)n1.
What is the InChIKey of 5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is WQMRRWGIQLSMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-8-15(17-19-4-5-20-17)22-16(21-12)13-2-6-23(7-3-13)10-14-9-18-11-24-14/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,19,20).
What are the key properties of 5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-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-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).