2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide

C14H21N3O2S — CID 16868616

IUPAC2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C14H21N3O2S/c1-8(2)11-6-13(19)17-10(7-20-14(17)16-11)5-12(18)15-9(3)4/h6,8-10H,5,7H2,1-4H3,(H,15,18)
InChIKeyOEBRESXADLTXFM-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.93
Rot. Bonds4

About 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide

2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide (PubChem CID 16868616) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide
PubChem CID16868616
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C14H21N3O2S/c1-8(2)11-6-13(19)17-10(7-20-14(17)16-11)5-12(18)15-9(3)4/h6,8-10H,5,7H2,1-4H3,(H,15,18)
InChIKeyOEBRESXADLTXFM-UHFFFAOYSA-N
XLogP1.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 135690273
CID 135690273
CID 135491354
CID 135491354
CID 135561501
CID 135561501
CID 16867897
CID 16867897
CID 16867905
CID 16867905
CID 16868617
CID 16868617
CID 16868630
CID 16868630
CID 16868631
CID 16868631
CID 135561956
CID 135561956
CID 16867894
CID 16867894
CID 16867895
CID 16867895
CID 16867899
CID 16867899

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide (CID 16868616) is 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21.
What is the InChIKey of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is OEBRESXADLTXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-8(2)11-6-13(19)17-10(7-20-14(17)16-11)5-12(18)15-9(3)4/h6,8-10H,5,7H2,1-4H3,(H,15,18).
What are the key properties of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide?
2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 295.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 16868616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).