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

C16H21N5O2S — CID 20893084

IUPACN-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(=O)n2nc(N3CCCC3C(=O)NC3CCCC3)sc2n1
InChIInChI=1S/C16H21N5O2S/c1-10-9-13(22)21-15(17-10)24-16(19-21)20-8-4-7-12(20)14(23)18-11-5-2-3-6-11/h9,11-12H,2-8H2,1H3,(H,18,23)
InChIKeyQVZXGBDXJBULBR-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.49
Rot. Bonds3

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

N-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 20893084) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID20893084
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(=O)n2nc(N3CCCC3C(=O)NC3CCCC3)sc2n1
InChIInChI=1S/C16H21N5O2S/c1-10-9-13(22)21-15(17-10)24-16(19-21)20-8-4-7-12(20)14(23)18-11-5-2-3-6-11/h9,11-12H,2-8H2,1H3,(H,18,23)
InChIKeyQVZXGBDXJBULBR-UHFFFAOYSA-N
XLogP1.49
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)prolinamide
CID 3244045
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolinamide
CID 3245274
7-Methyl-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20886260
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-3-carboxamide
CID 20893033
1-{7-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}-N-[2-(pyrrolidin-1-YL)ethyl]piperidine-3-carboxamide
CID 20893051
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 20893095
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpyrrolidine-2-carboxamide
CID 20893096
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide
CID 20893097
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 20893100
1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-pyrrolidinecarboxamide
CID 20893102
N-(3-ethoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 20893106
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}pyrrolidine-2-carboxamide
CID 20893107

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 20893084) is N-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is Cc1cc(=O)n2nc(N3CCCC3C(=O)NC3CCCC3)sc2n1.
What is the InChIKey of N-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is QVZXGBDXJBULBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10-9-13(22)21-15(17-10)24-16(19-21)20-8-4-7-12(20)14(23)18-11-5-2-3-6-11/h9,11-12H,2-8H2,1H3,(H,18,23).
What are the key properties of N-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
N-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 20893084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).