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

C16H23N5O3S — CID 20892967

IUPACN-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1
InChIInChI=1S/C16H23N5O3S/c1-11-10-13(22)21-15(18-11)25-16(19-21)20-7-4-12(5-8-20)14(23)17-6-3-9-24-2/h10,12H,3-9H2,1-2H3,(H,17,23)
InChIKeyXTUQTBYIHJFQQI-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.83
Rot. Bonds6

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

N-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 20892967) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID20892967
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC NameN-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1
InChIInChI=1S/C16H23N5O3S/c1-11-10-13(22)21-15(18-11)25-16(19-21)20-7-4-12(5-8-20)14(23)17-6-3-9-24-2/h10,12H,3-9H2,1-2H3,(H,17,23)
InChIKeyXTUQTBYIHJFQQI-UHFFFAOYSA-N
XLogP0.83
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 3241629
CID 3241629
CID 16012128
CID 16012128
CID 3242901
CID 3242901
CID 165413191
CID 165413191
CID 6623667
CID 6623667
CID 6625307
CID 6625307
CID 20893375
CID 20893375
CID 3238784
CID 3238784
CID 6620243
CID 6620243
CID 18147147
CID 18147147
CID 18209038
CID 18209038
CID 20892935
CID 20892935

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CID 20892967) is N-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is XTUQTBYIHJFQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-11-10-13(22)21-15(18-11)25-16(19-21)20-7-4-12(5-8-20)14(23)17-6-3-9-24-2/h10,12H,3-9H2,1-2H3,(H,17,23).
What are the key properties of N-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20892967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).