7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C17H23N5O2S — CID 92716589

IUPAC7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCC[C@H]3C(=O)N3CCC(C)CC3)sc2n1
InChIInChI=1S/C17H23N5O2S/c1-11-5-8-20(9-6-11)15(24)13-4-3-7-21(13)17-19-22-14(23)10-12(2)18-16(22)25-17/h10-11,13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyOSIMIHRKGYUMKU-ZDUSSCGKSA-N
MW361.47 g/mol
LogP1.69
Rot. Bonds2

About 7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 92716589) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID92716589
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCC[C@H]3C(=O)N3CCC(C)CC3)sc2n1
InChIInChI=1S/C17H23N5O2S/c1-11-5-8-20(9-6-11)15(24)13-4-3-7-21(13)17-19-22-14(23)10-12(2)18-16(22)25-17/h10-11,13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyOSIMIHRKGYUMKU-ZDUSSCGKSA-N
XLogP1.69
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-2-[(2R)-2-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 147987489
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
2-(azepan-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18147073
1-(5-oxo-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 53212749
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 20893020
N-cyclopropyl-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 47279938
(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,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 24561312
[(2S)-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 7235054
2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 148769601
[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65168510
7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51727342

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 92716589) is 7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)N3CCC(C)CC3)sc2n1.
What is the InChIKey of 7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OSIMIHRKGYUMKU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-11-5-8-20(9-6-11)15(24)13-4-3-7-21(13)17-19-22-14(23)10-12(2)18-16(22)25-17/h10-11,13H,3-9H2,1-2H3/t13-/m0/s1.
What are the key properties of 7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 361.47 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 92716589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).