2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole

C19H26N4S — CID 133472763

IUPAC2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCCc1cc(N2CCCC(c3nc4c(s3)CCCC4)C2)nc(C)n1
InChIInChI=1S/C19H26N4S/c1-3-15-11-18(21-13(2)20-15)23-10-6-7-14(12-23)19-22-16-8-4-5-9-17(16)24-19/h11,14H,3-10,12H2,1-2H3
InChIKeyHLNZZKNFSBRDIM-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.07
Rot. Bonds3

About 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole

2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 133472763) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID133472763
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCCc1cc(N2CCCC(c3nc4c(s3)CCCC4)C2)nc(C)n1
InChIInChI=1S/C19H26N4S/c1-3-15-11-18(21-13(2)20-15)23-10-6-7-14(12-23)19-22-16-8-4-5-9-17(16)24-19/h11,14H,3-10,12H2,1-2H3
InChIKeyHLNZZKNFSBRDIM-UHFFFAOYSA-N
XLogP4.07
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 139009435
2-[(3R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 124882253
4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
CID 133460499
2-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 139009432
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole
CID 133328206
4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 97210192
2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 139009436
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine
CID 133472422
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 120639442
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133461297
3-[(3R)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide
CID 124610046

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 133472763) is 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole is CCc1cc(N2CCCC(c3nc4c(s3)CCCC4)C2)nc(C)n1.
What is the InChIKey of 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is HLNZZKNFSBRDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c1-3-15-11-18(21-13(2)20-15)23-10-6-7-14(12-23)19-22-16-8-4-5-9-17(16)24-19/h11,14H,3-10,12H2,1-2H3.
What are the key properties of 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 342.51 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 133472763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).