N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C16H22N6O3S — CID 20942862

IUPACN-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc2sc(N3CCCC3)nn2c1=O
InChIInChI=1S/C16H22N6O3S/c23-13(17-3-6-20-7-9-25-10-8-20)12-11-18-15-22(14(12)24)19-16(26-15)21-4-1-2-5-21/h11H,1-10H2,(H,17,23)
InChIKeyQYCBQMMITCSTON-UHFFFAOYSA-N
MW378.46 g/mol
LogP-0.19
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942862) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942862
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC NameN-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc2sc(N3CCCC3)nn2c1=O
InChIInChI=1S/C16H22N6O3S/c23-13(17-3-6-20-7-9-25-10-8-20)12-11-18-15-22(14(12)24)19-16(26-15)21-4-1-2-5-21/h11H,1-10H2,(H,17,23)
InChIKeyQYCBQMMITCSTON-UHFFFAOYSA-N
XLogP-0.19
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942862) is N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCN1CCOCC1)c1cnc2sc(N3CCCC3)nn2c1=O.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is QYCBQMMITCSTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c23-13(17-3-6-20-7-9-25-10-8-20)12-11-18-15-22(14(12)24)19-16(26-15)21-4-1-2-5-21/h11H,1-10H2,(H,17,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 378.46 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).