6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole

C22H24N4S — CID 108774133

IUPAC6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
SMILESCCc1ccc2nc(N3CCC(c4nc5ccc(C)cc5[nH]4)CC3)sc2c1
InChIInChI=1S/C22H24N4S/c1-3-15-5-7-18-20(13-15)27-22(25-18)26-10-8-16(9-11-26)21-23-17-6-4-14(2)12-19(17)24-21/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,23,24)
InChIKeyPGGPUHZTQQHUGF-UHFFFAOYSA-N
MW376.53 g/mol
LogP5.43
Rot. Bonds3

About 6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole

6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole (PubChem CID 108774133) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is 6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
PubChem CID108774133
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
SMILESCCc1ccc2nc(N3CCC(c4nc5ccc(C)cc5[nH]4)CC3)sc2c1
InChIInChI=1S/C22H24N4S/c1-3-15-5-7-18-20(13-15)27-22(25-18)26-10-8-16(9-11-26)21-23-17-6-4-14(2)12-19(17)24-21/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,23,24)
InChIKeyPGGPUHZTQQHUGF-UHFFFAOYSA-N
XLogP5.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 108774137
2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172891718
6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081540
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16941609
1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171691603
6-ethyl-2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 172901090
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941555
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
(2,5-dimethylphenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538954
6-ethyl-2-(4-methylsulfonylpiperazin-1-yl)-1,3-benzothiazole
CID 108781505

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole (CID 108774133) is 6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole is CCc1ccc2nc(N3CCC(c4nc5ccc(C)cc5[nH]4)CC3)sc2c1.
What is the InChIKey of 6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is PGGPUHZTQQHUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S/c1-3-15-5-7-18-20(13-15)27-22(25-18)26-10-8-16(9-11-26)21-23-17-6-4-14(2)12-19(17)24-21/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,23,24).
What are the key properties of 6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole?
6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 376.53 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 108774133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).