2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol

C12H17N3OS — CID 67925679

IUPAC2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol
SMILESOC1(NN2CCCCC2)Nc2ccccc2S1
InChIInChI=1S/C12H17N3OS/c16-12(14-15-8-4-1-5-9-15)13-10-6-2-3-7-11(10)17-12/h2-3,6-7,13-14,16H,1,4-5,8-9H2
InChIKeyMVFBODPYBQXJKL-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.80
Rot. Bonds2

About 2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol

2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol (PubChem CID 67925679) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol.

Molecular Properties

Compound Name2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol
PubChem CID67925679
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol
SMILESOC1(NN2CCCCC2)Nc2ccccc2S1
InChIInChI=1S/C12H17N3OS/c16-12(14-15-8-4-1-5-9-15)13-10-6-2-3-7-11(10)17-12/h2-3,6-7,13-14,16H,1,4-5,8-9H2
InChIKeyMVFBODPYBQXJKL-UHFFFAOYSA-N
XLogP1.80
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol?
The IUPAC name of 2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol (CID 67925679) is 2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol.
What is the SMILES notation for 2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol?
The canonical SMILES for 2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol is OC1(NN2CCCCC2)Nc2ccccc2S1.
What is the InChIKey of 2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol?
The InChIKey is MVFBODPYBQXJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-12(14-15-8-4-1-5-9-15)13-10-6-2-3-7-11(10)17-12/h2-3,6-7,13-14,16H,1,4-5,8-9H2.
What are the key properties of 2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol?
2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol has a molecular weight of 251.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylamino)-3H-1,3-benzothiazol-2-ol is sourced from PubChem (CID 67925679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).