N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

C18H22N4O2S — CID 110633537

IUPACN-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccncc2)n1)NCC(=O)N1CCCCC1
InChIInChI=1S/C18H22N4O2S/c23-16(20-12-17(24)22-10-2-1-3-11-22)5-4-15-13-25-18(21-15)14-6-8-19-9-7-14/h6-9,13H,1-5,10-12H2,(H,20,23)
InChIKeyXFKBFTCCTBPDHE-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.27
Rot. Bonds6

About N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110633537) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110633537
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccncc2)n1)NCC(=O)N1CCCCC1
InChIInChI=1S/C18H22N4O2S/c23-16(20-12-17(24)22-10-2-1-3-11-22)5-4-15-13-25-18(21-15)14-6-8-19-9-7-14/h6-9,13H,1-5,10-12H2,(H,20,23)
InChIKeyXFKBFTCCTBPDHE-UHFFFAOYSA-N
XLogP2.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080861
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
1-(4-phenylpiperazin-1-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 110330015
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110428238
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110413894
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 110330025
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110411716
N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330056

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110633537) is N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is O=C(CCc1csc(-c2ccncc2)n1)NCC(=O)N1CCCCC1.
What is the InChIKey of N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is XFKBFTCCTBPDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-16(20-12-17(24)22-10-2-1-3-11-22)5-4-15-13-25-18(21-15)14-6-8-19-9-7-14/h6-9,13H,1-5,10-12H2,(H,20,23).
What are the key properties of N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 358.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110633537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).