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

C15H15N5OS — CID 110214031

IUPACthiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccs1)N1CCCC(c2ccnc3ncnn23)C1
InChIInChI=1S/C15H15N5OS/c21-14(13-4-2-8-22-13)19-7-1-3-11(9-19)12-5-6-16-15-17-10-18-20(12)15/h2,4-6,8,10-11H,1,3,7,9H2
InChIKeyFCAICFAFXQTSTQ-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.21
Rot. Bonds2

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

thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 110214031) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID110214031
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Namethiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccs1)N1CCCC(c2ccnc3ncnn23)C1
InChIInChI=1S/C15H15N5OS/c21-14(13-4-2-8-22-13)19-7-1-3-11(9-19)12-5-6-16-15-17-10-18-20(12)15/h2,4-6,8,10-11H,1,3,7,9H2
InChIKeyFCAICFAFXQTSTQ-UHFFFAOYSA-N
XLogP2.21
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110225724
(3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110110280
tert-butyl (3R)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415547
tert-butyl (3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415489
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125015720
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
1-benzothiophen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118471376
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone
CID 118472472
7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1485500

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 110214031) is thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is O=C(c1cccs1)N1CCCC(c2ccnc3ncnn23)C1.
What is the InChIKey of thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is FCAICFAFXQTSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-14(13-4-2-8-22-13)19-7-1-3-11(9-19)12-5-6-16-15-17-10-18-20(12)15/h2,4-6,8,10-11H,1,3,7,9H2.
What are the key properties of thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 313.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110214031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).