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

C19H28N4OS — CID 133400871

IUPAC2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole
SMILESCOCc1cc(N2CCC(c3nc(C)cs3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H28N4OS/c1-13-12-25-17(20-13)14-6-8-23(9-7-14)16-10-15(11-24-5)21-18(22-16)19(2,3)4/h10,12,14H,6-9,11H2,1-5H3
InChIKeyMUAIWMOFQMFAPG-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.07
Rot. Bonds4

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

2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole (PubChem CID 133400871) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole
PubChem CID133400871
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole
SMILESCOCc1cc(N2CCC(c3nc(C)cs3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H28N4OS/c1-13-12-25-17(20-13)14-6-8-23(9-7-14)16-10-15(11-24-5)21-18(22-16)19(2,3)4/h10,12,14H,6-9,11H2,1-5H3
InChIKeyMUAIWMOFQMFAPG-UHFFFAOYSA-N
XLogP4.07
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole (CID 133400871) is 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole is COCc1cc(N2CCC(c3nc(C)cs3)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole?
The InChIKey is MUAIWMOFQMFAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-13-12-25-17(20-13)14-6-8-23(9-7-14)16-10-15(11-24-5)21-18(22-16)19(2,3)4/h10,12,14H,6-9,11H2,1-5H3.
What are the key properties of 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole?
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole has a molecular weight of 360.53 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 133400871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).