2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H17N3O3S — CID 17248378

IUPAC2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NCC3CCCO3)c(=O)n2c1C
InChIInChI=1S/C14H17N3O3S/c1-8-9(2)21-14-16-7-11(13(19)17(8)14)12(18)15-6-10-4-3-5-20-10/h7,10H,3-6H2,1-2H3,(H,15,18)
InChIKeyWZKYZOBKPPVVKK-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.28
Rot. Bonds3

About 2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248378) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248378
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NCC3CCCO3)c(=O)n2c1C
InChIInChI=1S/C14H17N3O3S/c1-8-9(2)21-14-16-7-11(13(19)17(8)14)12(18)15-6-10-4-3-5-20-10/h7,10H,3-6H2,1-2H3,(H,15,18)
InChIKeyWZKYZOBKPPVVKK-UHFFFAOYSA-N
XLogP1.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248378) is 2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)NCC3CCCO3)c(=O)n2c1C.
What is the InChIKey of 2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WZKYZOBKPPVVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-9(2)21-14-16-7-11(13(19)17(8)14)12(18)15-6-10-4-3-5-20-10/h7,10H,3-6H2,1-2H3,(H,15,18).
What are the key properties of 2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).