2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H23N5O2S — CID 120995703

IUPAC2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2ncc(C(=O)N3CCC(N4CCNCC4)C3)c(=O)n2c1C
InChIInChI=1S/C17H23N5O2S/c1-11-12(2)25-17-19-9-14(16(24)22(11)17)15(23)21-6-3-13(10-21)20-7-4-18-5-8-20/h9,13,18H,3-8,10H2,1-2H3
InChIKeyCYOGTKWVICKMON-UHFFFAOYSA-N
MW361.47 g/mol
LogP0.49
Rot. Bonds2

About 2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 120995703) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID120995703
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2ncc(C(=O)N3CCC(N4CCNCC4)C3)c(=O)n2c1C
InChIInChI=1S/C17H23N5O2S/c1-11-12(2)25-17-19-9-14(16(24)22(11)17)15(23)21-6-3-13(10-21)20-7-4-18-5-8-20/h9,13,18H,3-8,10H2,1-2H3
InChIKeyCYOGTKWVICKMON-UHFFFAOYSA-N
XLogP0.49
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 97141051
2,3-dimethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 99821358
2,3-dimethyl-6-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 166619586
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115
(3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 120995259
(2-methyl-5-nitro-3-pyridinyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994943
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995131
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995130
2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 75444578
(5-cyclopropyl-1-methylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995300
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
5,6-dimethyl-3-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 120997100

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 120995703) is 2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1sc2ncc(C(=O)N3CCC(N4CCNCC4)C3)c(=O)n2c1C.
What is the InChIKey of 2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CYOGTKWVICKMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-11-12(2)25-17-19-9-14(16(24)22(11)17)15(23)21-6-3-13(10-21)20-7-4-18-5-8-20/h9,13,18H,3-8,10H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 361.47 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 120995703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).