2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C14H19N3O3S — CID 16868076

IUPAC2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cnc2n(c1=O)C(CC(=O)NCC1CCCO1)CS2
InChIInChI=1S/C14H19N3O3S/c1-9-6-16-14-17(13(9)19)10(8-21-14)5-12(18)15-7-11-3-2-4-20-11/h6,10-11H,2-5,7-8H2,1H3,(H,15,18)
InChIKeyUCIKSRQITKYECZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.88
Rot. Bonds4

About 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16868076) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID16868076
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cnc2n(c1=O)C(CC(=O)NCC1CCCO1)CS2
InChIInChI=1S/C14H19N3O3S/c1-9-6-16-14-17(13(9)19)10(8-21-14)5-12(18)15-7-11-3-2-4-20-11/h6,10-11H,2-5,7-8H2,1H3,(H,15,18)
InChIKeyUCIKSRQITKYECZ-UHFFFAOYSA-N
XLogP0.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 16867913
CID 16867913
CID 5172890
CID 5172890
CID 16867754
CID 16867754
CID 16868068
CID 16868068
CID 16869012
CID 16869012
CID 17248378
CID 17248378
CID 126470244
CID 126470244
CID 3413451
CID 3413451
CID 4416933
CID 4416933
CID 16868070
CID 16868070
CID 16868252
CID 16868252
CID 16868442
CID 16868442

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 16868076) is 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1cnc2n(c1=O)C(CC(=O)NCC1CCCO1)CS2.
What is the InChIKey of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is UCIKSRQITKYECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-6-16-14-17(13(9)19)10(8-21-14)5-12(18)15-7-11-3-2-4-20-11/h6,10-11H,2-5,7-8H2,1H3,(H,15,18).
What are the key properties of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 309.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16868076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).