2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide

C15H17N5O2S — CID 134408671

IUPAC2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide
SMILESCCc1cnc(N2CCC(c3nc(C(=O)N=O)cs3)CC2)nc1
InChIInChI=1S/C15H17N5O2S/c1-2-10-7-16-15(17-8-10)20-5-3-11(4-6-20)14-18-12(9-23-14)13(21)19-22/h7-9,11H,2-6H2,1H3
InChIKeyJMORUZZAZHEDKV-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.79
Rot. Bonds4

About 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide

2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide (PubChem CID 134408671) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide
PubChem CID134408671
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide
SMILESCCc1cnc(N2CCC(c3nc(C(=O)N=O)cs3)CC2)nc1
InChIInChI=1S/C15H17N5O2S/c1-2-10-7-16-15(17-8-10)20-5-3-11(4-6-20)14-18-12(9-23-14)13(21)19-22/h7-9,11H,2-6H2,1H3
InChIKeyJMORUZZAZHEDKV-UHFFFAOYSA-N
XLogP2.79
TPSA88.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

bis(4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole);ethyl 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole-4-carboxylate;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanethione;1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone;methane
CID 158664040
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
CID 58567804
4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol
CID 162008848
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(trifluoromethylsulfanyl)phenoxy]methyl]-1,3-thiazole
CID 25024519
N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylacetamide
CID 154582448
1-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]-3-fluorophenyl]-N-methylmethanimine
CID 142418782
ethanesulfonic acid;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 51347382
N-diazenyl-N-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]phenyl]ethanimidamide
CID 143718419
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 58317510
(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;hydrobromide
CID 51347381
[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 3866782

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide (CID 134408671) is 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide is CCc1cnc(N2CCC(c3nc(C(=O)N=O)cs3)CC2)nc1.
What is the InChIKey of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide?
The InChIKey is JMORUZZAZHEDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-2-10-7-16-15(17-8-10)20-5-3-11(4-6-20)14-18-12(9-23-14)13(21)19-22/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide?
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-oxo-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134408671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).