4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole

C21H24N4OS — CID 165427300

IUPAC4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole
SMILESCOCc1cc(N2CCC(c3ccccc3)(c3csc(C)n3)CC2)ncn1
InChIInChI=1S/C21H24N4OS/c1-16-24-19(14-27-16)21(17-6-4-3-5-7-17)8-10-25(11-9-21)20-12-18(13-26-2)22-15-23-20/h3-7,12,14-15H,8-11,13H2,1-2H3
InChIKeyPPGSYVUQRHIQJT-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.97
Rot. Bonds5

About 4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole

4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole (PubChem CID 165427300) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole
PubChem CID165427300
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole
SMILESCOCc1cc(N2CCC(c3ccccc3)(c3csc(C)n3)CC2)ncn1
InChIInChI=1S/C21H24N4OS/c1-16-24-19(14-27-16)21(17-6-4-3-5-7-17)8-10-25(11-9-21)20-12-18(13-26-2)22-15-23-20/h3-7,12,14-15H,8-11,13H2,1-2H3
InChIKeyPPGSYVUQRHIQJT-UHFFFAOYSA-N
XLogP3.97
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole (CID 165427300) is 4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole is COCc1cc(N2CCC(c3ccccc3)(c3csc(C)n3)CC2)ncn1.
What is the InChIKey of 4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole?
The InChIKey is PPGSYVUQRHIQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-16-24-19(14-27-16)21(17-6-4-3-5-7-17)8-10-25(11-9-21)20-12-18(13-26-2)22-15-23-20/h3-7,12,14-15H,8-11,13H2,1-2H3.
What are the key properties of 4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole?
4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole has a molecular weight of 380.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 165427300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).