2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol

C17H18N8OS2 — CID 162492776

IUPAC2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol
SMILESCN(c1nc2sc(-c3ncc(-n4ccnn4)cc3O)nc2s1)C1CCNCC1
InChIInChI=1S/C17H18N8OS2/c1-24(10-2-4-18-5-3-10)17-22-16-15(28-17)21-14(27-16)13-12(26)8-11(9-19-13)25-7-6-20-23-25/h6-10,18,26H,2-5H2,1H3
InChIKeyDGVCFDYGOHLJDU-UHFFFAOYSA-N
MW414.52 g/mol
LogP2.29
Rot. Bonds4

About 2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol

2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol (PubChem CID 162492776) has the molecular formula C17H18N8OS2 and a molecular weight of 414.52 g/mol. Its IUPAC name is 2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol
PubChem CID162492776
Molecular FormulaC17H18N8OS2
Molecular Weight414.52 g/mol
Exact Mass414.10
IUPAC Name2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol
SMILESCN(c1nc2sc(-c3ncc(-n4ccnn4)cc3O)nc2s1)C1CCNCC1
InChIInChI=1S/C17H18N8OS2/c1-24(10-2-4-18-5-3-10)17-22-16-15(28-17)21-14(27-16)13-12(26)8-11(9-19-13)25-7-6-20-23-25/h6-10,18,26H,2-5H2,1H3
InChIKeyDGVCFDYGOHLJDU-UHFFFAOYSA-N
XLogP2.29
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.52
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol?
The IUPAC name of 2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol (CID 162492776) is 2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol.
What is the SMILES notation for 2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol?
The canonical SMILES for 2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol is CN(c1nc2sc(-c3ncc(-n4ccnn4)cc3O)nc2s1)C1CCNCC1.
What is the InChIKey of 2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol?
The InChIKey is DGVCFDYGOHLJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8OS2/c1-24(10-2-4-18-5-3-10)17-22-16-15(28-17)21-14(27-16)13-12(26)8-11(9-19-13)25-7-6-20-23-25/h6-10,18,26H,2-5H2,1H3.
What are the key properties of 2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol?
2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol has a molecular weight of 414.52 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol is sourced from PubChem (CID 162492776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).