N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C13H11N5O2S — CID 51335421

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cnc3ccccn3c2=O)s1
InChIInChI=1S/C13H11N5O2S/c1-2-10-16-17-13(21-10)15-11(19)8-7-14-9-5-3-4-6-18(9)12(8)20/h3-7H,2H2,1H3,(H,15,17,19)
InChIKeyLTATVYYBCLBKBR-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.36
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51335421) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID51335421
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cnc3ccccn3c2=O)s1
InChIInChI=1S/C13H11N5O2S/c1-2-10-16-17-13(21-10)15-11(19)8-7-14-9-5-3-4-6-18(9)12(8)20/h3-7H,2H2,1H3,(H,15,17,19)
InChIKeyLTATVYYBCLBKBR-UHFFFAOYSA-N
XLogP1.36
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3237844
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51336428
N-[(3-methylthiophen-2-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134059639
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 60555535
N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51098182
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
CID 25480929
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115410125

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51335421) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCc1nnc(NC(=O)c2cnc3ccccn3c2=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LTATVYYBCLBKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c1-2-10-16-17-13(21-10)15-11(19)8-7-14-9-5-3-4-6-18(9)12(8)20/h3-7H,2H2,1H3,(H,15,17,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51335421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).