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

C18H28N6O2S — CID 20892955

IUPACN-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1
InChIInChI=1S/C18H28N6O2S/c1-4-22(5-2)11-8-19-16(26)14-6-9-23(10-7-14)18-21-24-15(25)12-13(3)20-17(24)27-18/h12,14H,4-11H2,1-3H3,(H,19,26)
InChIKeySTNLCVOUXHOGFB-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.13
Rot. Bonds7

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

N-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 20892955) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID20892955
Molecular FormulaC18H28N6O2S
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC NameN-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1
InChIInChI=1S/C18H28N6O2S/c1-4-22(5-2)11-8-19-16(26)14-6-9-23(10-7-14)18-21-24-15(25)12-13(3)20-17(24)27-18/h12,14H,4-11H2,1-3H3,(H,19,26)
InChIKeySTNLCVOUXHOGFB-UHFFFAOYSA-N
XLogP1.13
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 3241629
CID 3241629
CID 3244045
CID 3244045
CID 20893055
CID 20893055
CID 16012128
CID 16012128
CID 3245274
CID 3245274
CID 20893031
CID 20893031
CID 165413191
CID 165413191
CID 20893034
CID 20893034
CID 168279726
CID 168279726
CID 168284322
CID 168284322
CID 168288149
CID 168288149
CID 168292469
CID 168292469

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CID 20892955) is N-[2-(diethylamino)ethyl]-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-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is CCN(CC)CCNC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is STNLCVOUXHOGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-4-22(5-2)11-8-19-16(26)14-6-9-23(10-7-14)18-21-24-15(25)12-13(3)20-17(24)27-18/h12,14H,4-11H2,1-3H3,(H,19,26).
What are the key properties of N-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
N-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20892955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).