2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole

C21H25N5O3S2 — CID 71657148

IUPAC2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole
SMILESCCc1cnc(N2CCC(COc3ncc(-c4ccc(S(C)(=O)=O)nc4)s3)CC2)nc1
InChIInChI=1S/C21H25N5O3S2/c1-3-15-10-23-20(24-11-15)26-8-6-16(7-9-26)14-29-21-25-13-18(30-21)17-4-5-19(22-12-17)31(2,27)28/h4-5,10-13,16H,3,6-9,14H2,1-2H3
InChIKeyNOQCYLVLVMLDFU-UHFFFAOYSA-N
MW459.60 g/mol
LogP3.26
Rot. Bonds7

About 2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole

2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole (PubChem CID 71657148) has the molecular formula C21H25N5O3S2 and a molecular weight of 459.60 g/mol. Its IUPAC name is 2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole
PubChem CID71657148
Molecular FormulaC21H25N5O3S2
Molecular Weight459.60 g/mol
Exact Mass459.14
IUPAC Name2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole
SMILESCCc1cnc(N2CCC(COc3ncc(-c4ccc(S(C)(=O)=O)nc4)s3)CC2)nc1
InChIInChI=1S/C21H25N5O3S2/c1-3-15-10-23-20(24-11-15)26-8-6-16(7-9-26)14-29-21-25-13-18(30-21)17-4-5-19(22-12-17)31(2,27)28/h4-5,10-13,16H,3,6-9,14H2,1-2H3
InChIKeyNOQCYLVLVMLDFU-UHFFFAOYSA-N
XLogP3.26
TPSA98.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole with MolForge

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Related Compounds

2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine
CID 71657364
5-ethyl-2-[3-[[2-fluoro-4-(6-methylsulfonyl-3-pyridinyl)phenoxy]methyl]azetidin-1-yl]pyrimidine
CID 142712728
2-[4-[[2,6-difluoro-4-(2-methyl-6-methylsulfonyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 44609177
5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
CID 131985248
(5R)-3-(5-ethylpyrimidin-2-yl)-6-[[4-(6-methylsulfonyl-3-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane
CID 66837635
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-methylsulfonylphenyl)-1,3-benzothiazole
CID 54596967
2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 91114165
6-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3-fluorophenyl]-1,3λ4-benzoxathiole 3-oxide
CID 139509630
2-[(1S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
CID 131998369
2-[4-[[2,6-difluoro-4-[6-(nitrosomethyl)-3-pyridinyl]phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 143925102
sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride
CID 173054386
2-[4-(benzenesulfonyl)piperidin-1-yl]-5-ethylpyrimidine
CID 139028839

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole (CID 71657148) is 2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole is CCc1cnc(N2CCC(COc3ncc(-c4ccc(S(C)(=O)=O)nc4)s3)CC2)nc1.
What is the InChIKey of 2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is NOQCYLVLVMLDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S2/c1-3-15-10-23-20(24-11-15)26-8-6-16(7-9-26)14-29-21-25-13-18(30-21)17-4-5-19(22-12-17)31(2,27)28/h4-5,10-13,16H,3,6-9,14H2,1-2H3.
What are the key properties of 2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole?
2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole has a molecular weight of 459.60 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 71657148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).