5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol

C12H17N5OS — CID 67274659

IUPAC5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol
SMILESNC1CC(N)N(c2ccc3scnc3c2O)C(N)C1
InChIInChI=1S/C12H17N5OS/c13-6-3-9(14)17(10(15)4-6)7-1-2-8-11(12(7)18)16-5-19-8/h1-2,5-6,9-10,18H,3-4,13-15H2
InChIKeyRIQCTTWYKOPBPQ-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.50
Rot. Bonds1

About 5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol

5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol (PubChem CID 67274659) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol
PubChem CID67274659
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol
SMILESNC1CC(N)N(c2ccc3scnc3c2O)C(N)C1
InChIInChI=1S/C12H17N5OS/c13-6-3-9(14)17(10(15)4-6)7-1-2-8-11(12(7)18)16-5-19-8/h1-2,5-6,9-10,18H,3-4,13-15H2
InChIKeyRIQCTTWYKOPBPQ-UHFFFAOYSA-N
XLogP0.50
TPSA114.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol?
The IUPAC name of 5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol (CID 67274659) is 5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol.
What is the SMILES notation for 5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol?
The canonical SMILES for 5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol is NC1CC(N)N(c2ccc3scnc3c2O)C(N)C1.
What is the InChIKey of 5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol?
The InChIKey is RIQCTTWYKOPBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c13-6-3-9(14)17(10(15)4-6)7-1-2-8-11(12(7)18)16-5-19-8/h1-2,5-6,9-10,18H,3-4,13-15H2.
What are the key properties of 5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol?
5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol has a molecular weight of 279.37 g/mol, XLogP of 0.50, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-triaminopiperidin-1-yl)-1,3-benzothiazol-4-ol is sourced from PubChem (CID 67274659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).