1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one

C15H22N2OS — CID 71683914

IUPAC1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C15H22N2OS/c1-2-14(18)17-9-7-11(8-10-17)15-16-12-5-3-4-6-13(12)19-15/h11H,2-10H2,1H3
InChIKeyOQUYAUODDONSDX-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.14
Rot. Bonds2

About 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one

1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 71683914) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID71683914
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C15H22N2OS/c1-2-14(18)17-9-7-11(8-10-17)15-16-12-5-3-4-6-13(12)19-15/h11H,2-10H2,1H3
InChIKeyOQUYAUODDONSDX-UHFFFAOYSA-N
XLogP3.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110289961
ethyl 2-oxo-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]acetate
CID 110289985
N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 110628908
1-(2-methylphenyl)-4-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]butane-1,4-dione
CID 110628926
oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289960
4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122126606
2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone
CID 136565999
(3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289983
pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289978
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110628914
5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 146135053
(2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 164636933

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one (CID 71683914) is 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1.
What is the InChIKey of 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is OQUYAUODDONSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-14(18)17-9-7-11(8-10-17)15-16-12-5-3-4-6-13(12)19-15/h11H,2-10H2,1H3.
What are the key properties of 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one?
1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 278.42 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71683914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).