(2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide

C20H23N5O3S — CID 92901629

IUPAC(2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCCCc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)Nc3ccc(OC)cc3)sc2n1
InChIInChI=1S/C20H23N5O3S/c1-3-5-14-12-17(26)25-19(22-14)29-20(23-25)24-11-4-6-16(24)18(27)21-13-7-9-15(28-2)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3,(H,21,27)/t16-/m1/s1
InChIKeyROTLDLSTNKSGGB-MRXNPFEDSA-N
MW413.50 g/mol
LogP2.72
Rot. Bonds6

About (2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide

(2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 92901629) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID92901629
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name(2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCCCc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)Nc3ccc(OC)cc3)sc2n1
InChIInChI=1S/C20H23N5O3S/c1-3-5-14-12-17(26)25-19(22-14)29-20(23-25)24-11-4-6-16(24)18(27)21-13-7-9-15(28-2)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3,(H,21,27)/t16-/m1/s1
InChIKeyROTLDLSTNKSGGB-MRXNPFEDSA-N
XLogP2.72
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N-(2,6-dimethylphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 92901631
N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 46261638
2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 148769601
2-(4-methoxypiperidin-1-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013623
N-(2-methoxy-5-methylphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 20893370
N-butan-2-yl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 20893297
2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133271674
1-(1,3-benzothiazol-2-ylmethyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 47055497
1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 92716631
1-(5-oxo-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 53212749
2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133361899
2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133394633

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 92901629) is (2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is CCCc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)Nc3ccc(OC)cc3)sc2n1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is ROTLDLSTNKSGGB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-3-5-14-12-17(26)25-19(22-14)29-20(23-25)24-11-4-6-16(24)18(27)21-13-7-9-15(28-2)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3,(H,21,27)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
(2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92901629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).