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

C12H17N3O2S — CID 16867895

IUPAC2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1CSc2nc(C)cc(=O)n21
InChIInChI=1S/C12H17N3O2S/c1-3-4-13-10(16)6-9-7-18-12-14-8(2)5-11(17)15(9)12/h5,9H,3-4,6-7H2,1-2H3,(H,13,16)
InChIKeyIHMNVBAZRXTTSK-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.11
Rot. Bonds4

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

2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide (PubChem CID 16867895) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
PubChem CID16867895
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1CSc2nc(C)cc(=O)n21
InChIInChI=1S/C12H17N3O2S/c1-3-4-13-10(16)6-9-7-18-12-14-8(2)5-11(17)15(9)12/h5,9H,3-4,6-7H2,1-2H3,(H,13,16)
InChIKeyIHMNVBAZRXTTSK-UHFFFAOYSA-N
XLogP1.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Hydroxy-6-methylpyrimidin-2-ylthio)-1-pyrrolidinylethan-1-one
CID 135443943
6-ethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 135561501
7-methyl-3-(2-oxo-2-(piperidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867873
N-isopropyl(6-methyl-4-oxo-1-thia-3a,7-diaza-3-indanyl)acetamide
CID 16867897
N-(3-isopropoxypropyl)-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867905
1-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxamide
CID 16868016
N-isobutyl-2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868617
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide
CID 9450944
7-methyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867872
N-ethyl-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867894
N-butan-2-yl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867899
N-allyl-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867901

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide (CID 16867895) is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide is CCCNC(=O)CC1CSc2nc(C)cc(=O)n21.
What is the InChIKey of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The InChIKey is IHMNVBAZRXTTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-4-13-10(16)6-9-7-18-12-14-8(2)5-11(17)15(9)12/h5,9H,3-4,6-7H2,1-2H3,(H,13,16).
What are the key properties of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide has a molecular weight of 267.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide is sourced from PubChem (CID 16867895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).