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

C14H16N4OS — CID 53164716

IUPACN-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1cccs1
InChIInChI=1S/C14H16N4OS/c19-13(12-5-4-8-20-12)17-11-9-15-14(16-10-11)18-6-2-1-3-7-18/h4-5,8-10H,1-3,6-7H2,(H,17,19)
InChIKeyFAFPVFIUBPKVKA-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.78
Rot. Bonds3

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

N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 53164716) 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-2-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID53164716
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1cccs1
InChIInChI=1S/C14H16N4OS/c19-13(12-5-4-8-20-12)17-11-9-15-14(16-10-11)18-6-2-1-3-7-18/h4-5,8-10H,1-3,6-7H2,(H,17,19)
InChIKeyFAFPVFIUBPKVKA-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

8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
N-(3-((5-Iodo-4-((3-((2-thienylcarbonyl)amino)propyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide
CID 10077147
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
N-[2-(3-pyridinyl)-4-pyrimidinyl]-2-thiophenecarboxamide
CID 1477562
[4-(5-Bromopyrimidin-2-yl)piperazino](2-thienyl)methanone
CID 2802467
N-(2-morpholino-3-pyridinyl)-2-thiophenecarboxamide
CID 2811167
N-(6-morpholino-3-pyridinyl)-2-thiophenecarboxamide
CID 3776044
4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
2-{4-[(5-Methyl-3-thienyl)carbonyl]-1-piperazinyl}pyrimidine
CID 1246450
5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2431997
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2434569

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide (CID 53164716) is N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide is O=C(Nc1cnc(N2CCCCC2)nc1)c1cccs1.
What is the InChIKey of N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is FAFPVFIUBPKVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-13(12-5-4-8-20-12)17-11-9-15-14(16-10-11)18-6-2-1-3-7-18/h4-5,8-10H,1-3,6-7H2,(H,17,19).
What are the key properties of N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-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-2-carboxamide is sourced from PubChem (CID 53164716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).