2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol

C14H19N3OS — CID 67275756

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol
SMILESCN(C)C1CCN(c2nc3cccc(O)c3s2)CC1
InChIInChI=1S/C14H19N3OS/c1-16(2)10-6-8-17(9-7-10)14-15-11-4-3-5-12(18)13(11)19-14/h3-5,10,18H,6-9H2,1-2H3
InChIKeyHMSOPVNQWLXOGC-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.53
Rot. Bonds2

About 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol

2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol (PubChem CID 67275756) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol
PubChem CID67275756
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol
SMILESCN(C)C1CCN(c2nc3cccc(O)c3s2)CC1
InChIInChI=1S/C14H19N3OS/c1-16(2)10-6-8-17(9-7-10)14-15-11-4-3-5-12(18)13(11)19-14/h3-5,10,18H,6-9H2,1-2H3
InChIKeyHMSOPVNQWLXOGC-UHFFFAOYSA-N
XLogP2.53
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol (CID 67275756) is 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol is CN(C)C1CCN(c2nc3cccc(O)c3s2)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol?
The InChIKey is HMSOPVNQWLXOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-16(2)10-6-8-17(9-7-10)14-15-11-4-3-5-12(18)13(11)19-14/h3-5,10,18H,6-9H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol?
2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol has a molecular weight of 277.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol is sourced from PubChem (CID 67275756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).