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

C15H20N4O2S2 — CID 110100445

IUPAC4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole
SMILESCc1csc(-c2cc(C3CCCCN3S(C)(=O)=O)nc(C)n2)n1
InChIInChI=1S/C15H20N4O2S2/c1-10-9-22-15(16-10)13-8-12(17-11(2)18-13)14-6-4-5-7-19(14)23(3,20)21/h8-9,14H,4-7H2,1-3H3
InChIKeyDGAINDQEMCXNTJ-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.70
Rot. Bonds3

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

4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole (PubChem CID 110100445) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole
PubChem CID110100445
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC Name4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole
SMILESCc1csc(-c2cc(C3CCCCN3S(C)(=O)=O)nc(C)n2)n1
InChIInChI=1S/C15H20N4O2S2/c1-10-9-22-15(16-10)13-8-12(17-11(2)18-13)14-6-4-5-7-19(14)23(3,20)21/h8-9,14H,4-7H2,1-3H3
InChIKeyDGAINDQEMCXNTJ-UHFFFAOYSA-N
XLogP2.70
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110099539
2-methyl-4-(2-methylpyrazol-3-yl)-6-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 124968184
2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110101190
5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
4-methyl-2-[2-methyl-6-(1-propan-2-ylpiperidin-4-yl)pyrimidin-4-yl]-1,3-thiazole
CID 110100476
4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 124959081
4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 95804534
6-[(2R)-1-cyclohexylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-4-amine
CID 124983194
2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
CID 110271544
1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
CID 110271366
1-methylsulfonyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-2-carboxamide
CID 55919536

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole (CID 110100445) is 4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole is Cc1csc(-c2cc(C3CCCCN3S(C)(=O)=O)nc(C)n2)n1.
What is the InChIKey of 4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is DGAINDQEMCXNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-10-9-22-15(16-10)13-8-12(17-11(2)18-13)14-6-4-5-7-19(14)23(3,20)21/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole?
4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 352.49 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 110100445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).