1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol

C13H16N4OS — CID 103361611

IUPAC1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol
SMILESNc1nsc(N2CCCC(O)C2)c1-c1cccnc1
InChIInChI=1S/C13H16N4OS/c14-12-11(9-3-1-5-15-7-9)13(19-16-12)17-6-2-4-10(18)8-17/h1,3,5,7,10,18H,2,4,6,8H2,(H2,14,16)
InChIKeySMCXMBSERXCUFK-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.75
Rot. Bonds2

About 1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol

1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol (PubChem CID 103361611) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol
PubChem CID103361611
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol
SMILESNc1nsc(N2CCCC(O)C2)c1-c1cccnc1
InChIInChI=1S/C13H16N4OS/c14-12-11(9-3-1-5-15-7-9)13(19-16-12)17-6-2-4-10(18)8-17/h1,3,5,7,10,18H,2,4,6,8H2,(H2,14,16)
InChIKeySMCXMBSERXCUFK-UHFFFAOYSA-N
XLogP1.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol?
The IUPAC name of 1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol (CID 103361611) is 1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol.
What is the SMILES notation for 1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol?
The canonical SMILES for 1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol is Nc1nsc(N2CCCC(O)C2)c1-c1cccnc1.
What is the InChIKey of 1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol?
The InChIKey is SMCXMBSERXCUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c14-12-11(9-3-1-5-15-7-9)13(19-16-12)17-6-2-4-10(18)8-17/h1,3,5,7,10,18H,2,4,6,8H2,(H2,14,16).
What are the key properties of 1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol?
1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol has a molecular weight of 276.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol is sourced from PubChem (CID 103361611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).