N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide

C14H16N4OS — CID 53164680

IUPACN-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1ccsc1
InChIInChI=1S/C14H16N4OS/c19-13(11-4-7-20-10-11)17-12-8-15-14(16-9-12)18-5-2-1-3-6-18/h4,7-10H,1-3,5-6H2,(H,17,19)
InChIKeyUQWLAFPURNUMDE-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.78
Rot. Bonds3

About N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide

N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide (PubChem CID 53164680) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide
PubChem CID53164680
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1ccsc1
InChIInChI=1S/C14H16N4OS/c19-13(11-4-7-20-10-11)17-12-8-15-14(16-9-12)18-5-2-1-3-6-18/h4,7-10H,1-3,5-6H2,(H,17,19)
InChIKeyUQWLAFPURNUMDE-UHFFFAOYSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)pyrimidin-5-yl]-4-methylthiophene-3-carboxamide
CID 71914203
N-[2-(Azepan-1-YL)pyrimidin-5-YL]thiophene-3-carboxamide
CID 53164738
4-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one
CID 19881076
N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}thiophene-3-carboxamide
CID 49687694
N-[2-(Pyrrolidin-1-YL)pyrimidin-5-YL]thiophene-3-carboxamide
CID 53164631
N-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 53164650
3-Methyl-N-[2-(piperidin-1-YL)pyrimidin-5-YL]thiophene-2-carboxamide
CID 53164681
5-Methyl-N-[2-(piperidin-1-YL)pyrimidin-5-YL]thiophene-2-carboxamide
CID 53164682
N-[2-(Piperidin-1-YL)pyrimidin-5-YL]thiophene-2-carboxamide
CID 53164716
N-[2-(Azepan-1-YL)pyrimidin-5-YL]-3-methylthiophene-2-carboxamide
CID 53164739
N-[2-(Azepan-1-YL)pyrimidin-5-YL]thiophene-2-carboxamide
CID 53164774
N-{1-[6-(Dimethylamino)pyrimidin-4-YL]piperidin-3-YL}thiophene-3-carboxamide
CID 53185771

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide (CID 53164680) is N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide is O=C(Nc1cnc(N2CCCCC2)nc1)c1ccsc1.
What is the InChIKey of N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide?
The InChIKey is UQWLAFPURNUMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-13(11-4-7-20-10-11)17-12-8-15-14(16-9-12)18-5-2-1-3-6-18/h4,7-10H,1-3,5-6H2,(H,17,19).
What are the key properties of N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide?
N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 53164680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).