1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C14H14N6OS — CID 16670087

IUPAC1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCCC(c2ccnc3ncnn23)C1
InChIInChI=1S/C14H14N6OS/c21-13(11-7-22-9-17-11)19-5-1-2-10(6-19)12-3-4-15-14-16-8-18-20(12)14/h3-4,7-10H,1-2,5-6H2
InChIKeyXNJCSRBYAADFAR-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.60
Rot. Bonds2

About 1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 16670087) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID16670087
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCCC(c2ccnc3ncnn23)C1
InChIInChI=1S/C14H14N6OS/c21-13(11-7-22-9-17-11)19-5-1-2-10(6-19)12-3-4-15-14-16-8-18-20(12)14/h3-4,7-10H,1-2,5-6H2
InChIKeyXNJCSRBYAADFAR-UHFFFAOYSA-N
XLogP1.60
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 16670087) is 1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is O=C(c1cscn1)N1CCCC(c2ccnc3ncnn23)C1.
What is the InChIKey of 1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is XNJCSRBYAADFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-13(11-7-22-9-17-11)19-5-1-2-10(6-19)12-3-4-15-14-16-8-18-20(12)14/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 314.37 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 16670087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).