2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide

C14H21N3O3S — CID 16868245

IUPAC2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)NC(C)COC
InChIInChI=1S/C14H21N3O3S/c1-4-10-5-13(19)17-11(8-21-14(17)16-10)6-12(18)15-9(2)7-20-3/h5,9,11H,4,6-8H2,1-3H3,(H,15,18)
InChIKeyKSAOKCMHFHQKMV-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.99
Rot. Bonds6

About 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide

2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 16868245) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID16868245
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)NC(C)COC
InChIInChI=1S/C14H21N3O3S/c1-4-10-5-13(19)17-11(8-21-14(17)16-10)6-12(18)15-9(2)7-20-3/h5,9,11H,4,6-8H2,1-3H3,(H,15,18)
InChIKeyKSAOKCMHFHQKMV-UHFFFAOYSA-N
XLogP0.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 16868245) is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide is CCc1cc(=O)n2c(n1)SCC2CC(=O)NC(C)COC.
What is the InChIKey of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is KSAOKCMHFHQKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-10-5-13(19)17-11(8-21-14(17)16-10)6-12(18)15-9(2)7-20-3/h5,9,11H,4,6-8H2,1-3H3,(H,15,18).
What are the key properties of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide?
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 16868245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).