1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol

C16H16N4OS — CID 1462037

IUPAC1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol
SMILESOC1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1
InChIInChI=1S/C16H16N4OS/c21-12-6-8-20(9-7-12)16-15-14(17-10-18-16)13(19-22-15)11-4-2-1-3-5-11/h1-5,10,12,21H,6-9H2
InChIKeyZTOJSJUHPLVGEH-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.71
Rot. Bonds2

About 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol

1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol (PubChem CID 1462037) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol
PubChem CID1462037
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol
SMILESOC1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1
InChIInChI=1S/C16H16N4OS/c21-12-6-8-20(9-7-12)16-15-14(17-10-18-16)13(19-22-15)11-4-2-1-3-5-11/h1-5,10,12,21H,6-9H2
InChIKeyZTOJSJUHPLVGEH-UHFFFAOYSA-N
XLogP2.71
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol?
The IUPAC name of 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol (CID 1462037) is 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol.
What is the SMILES notation for 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol?
The canonical SMILES for 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol is OC1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1.
What is the InChIKey of 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol?
The InChIKey is ZTOJSJUHPLVGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-12-6-8-20(9-7-12)16-15-14(17-10-18-16)13(19-22-15)11-4-2-1-3-5-11/h1-5,10,12,21H,6-9H2.
What are the key properties of 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol?
1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol has a molecular weight of 312.40 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol is sourced from PubChem (CID 1462037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).