2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C15H25N3OS — CID 64977521

IUPAC2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCN(C)CC1CCN(c2nc3c(s2)CCCC3O)CC1
InChIInChI=1S/C15H25N3OS/c1-17(2)10-11-6-8-18(9-7-11)15-16-14-12(19)4-3-5-13(14)20-15/h11-12,19H,3-10H2,1-2H3
InChIKeyNCSNSKIWCPTLIN-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.29
Rot. Bonds3

About 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64977521) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64977521
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCN(C)CC1CCN(c2nc3c(s2)CCCC3O)CC1
InChIInChI=1S/C15H25N3OS/c1-17(2)10-11-6-8-18(9-7-11)15-16-14-12(19)4-3-5-13(14)20-15/h11-12,19H,3-10H2,1-2H3
InChIKeyNCSNSKIWCPTLIN-UHFFFAOYSA-N
XLogP2.29
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64977521) is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CN(C)CC1CCN(c2nc3c(s2)CCCC3O)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is NCSNSKIWCPTLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-17(2)10-11-6-8-18(9-7-11)15-16-14-12(19)4-3-5-13(14)20-15/h11-12,19H,3-10H2,1-2H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 295.45 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64977521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).