2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol

C17H24N2OS — CID 172891718

IUPAC2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
SMILESCCc1ccc2nc(N3CCC(C(C)(C)O)CC3)sc2c1
InChIInChI=1S/C17H24N2OS/c1-4-12-5-6-14-15(11-12)21-16(18-14)19-9-7-13(8-10-19)17(2,3)20/h5-6,11,13,20H,4,7-10H2,1-3H3
InChIKeyVHKQKIGPZIWSOV-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.85
Rot. Bonds3

About 2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol

2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol (PubChem CID 172891718) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
PubChem CID172891718
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
SMILESCCc1ccc2nc(N3CCC(C(C)(C)O)CC3)sc2c1
InChIInChI=1S/C17H24N2OS/c1-4-12-5-6-14-15(11-12)21-16(18-14)19-9-7-13(8-10-19)17(2,3)20/h5-6,11,13,20H,4,7-10H2,1-3H3
InChIKeyVHKQKIGPZIWSOV-UHFFFAOYSA-N
XLogP3.85
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172893504
1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171691603
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16941609
6-ethyl-2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 172901090
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941555
6-ethyl-2-(4-methylsulfonylpiperazin-1-yl)-1,3-benzothiazole
CID 108781505
1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7538935
6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 108774133
1-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 15987809
6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081540
N-ethyl-4-(6-ethyl-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide
CID 108781518
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole
CID 16941535

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol (CID 172891718) is 2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol is CCc1ccc2nc(N3CCC(C(C)(C)O)CC3)sc2c1.
What is the InChIKey of 2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol?
The InChIKey is VHKQKIGPZIWSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-12-5-6-14-15(11-12)21-16(18-14)19-9-7-13(8-10-19)17(2,3)20/h5-6,11,13,20H,4,7-10H2,1-3H3.
What are the key properties of 2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol?
2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol has a molecular weight of 304.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 172891718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).