N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide

C17H24N4O2S — CID 51100005

IUPACN,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C17H24N4O2S/c1-3-20(4-2)16(23)13-5-7-19(8-6-13)12-14-11-15(22)21-9-10-24-17(21)18-14/h9-11,13H,3-8,12H2,1-2H3
InChIKeyGTYKFCQDSOJZME-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.84
Rot. Bonds5

About N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide

N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide (PubChem CID 51100005) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
PubChem CID51100005
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C17H24N4O2S/c1-3-20(4-2)16(23)13-5-7-19(8-6-13)12-14-11-15(22)21-9-10-24-17(21)18-14/h9-11,13H,3-8,12H2,1-2H3
InChIKeyGTYKFCQDSOJZME-UHFFFAOYSA-N
XLogP1.84
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-2-{4-[(4-methylpiperazin-1-yl)carbonyl]piperidin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 3241629
1-{[(4-Hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 135413620
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 2419350
7-[[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16254009
7-[(4-methylpiperidin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655084
1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 47025137
3-Methyl-7-[(3-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16383461
2-[4-(4-Ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20892937
7-[(3-Ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47030291
N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 47055648
7-[(4-Ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47057384
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide
CID 2419349

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide (CID 51100005) is N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The InChIKey is GTYKFCQDSOJZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-20(4-2)16(23)13-5-7-19(8-6-13)12-14-11-15(22)21-9-10-24-17(21)18-14/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 51100005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).