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

C14H17N3O2S2 — CID 126470038

IUPAC6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2ncc(C(=O)N3CCSC3(C)C)c(=O)n2c1C
InChIInChI=1S/C14H17N3O2S2/c1-8-9(2)21-13-15-7-10(12(19)17(8)13)11(18)16-5-6-20-14(16,3)4/h7H,5-6H2,1-4H3
InChIKeyAZYMIYMAOFOTMO-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.30
Rot. Bonds1

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

6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126470038) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126470038
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2ncc(C(=O)N3CCSC3(C)C)c(=O)n2c1C
InChIInChI=1S/C14H17N3O2S2/c1-8-9(2)21-13-15-7-10(12(19)17(8)13)11(18)16-5-6-20-14(16,3)4/h7H,5-6H2,1-4H3
InChIKeyAZYMIYMAOFOTMO-UHFFFAOYSA-N
XLogP2.30
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126470038) is 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1sc2ncc(C(=O)N3CCSC3(C)C)c(=O)n2c1C.
What is the InChIKey of 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AZYMIYMAOFOTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-8-9(2)21-13-15-7-10(12(19)17(8)13)11(18)16-5-6-20-14(16,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 323.44 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126470038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).