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

C12H15N3O2S — CID 16867901

IUPAC2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1CSc2nc(C)cc(=O)n21
InChIInChI=1S/C12H15N3O2S/c1-3-4-13-10(16)6-9-7-18-12-14-8(2)5-11(17)15(9)12/h3,5,9H,1,4,6-7H2,2H3,(H,13,16)
InChIKeyKISAOHHLWJERDD-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.89
Rot. Bonds4

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

2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-prop-2-enylacetamide (PubChem CID 16867901) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-prop-2-enylacetamide
PubChem CID16867901
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1CSc2nc(C)cc(=O)n21
InChIInChI=1S/C12H15N3O2S/c1-3-4-13-10(16)6-9-7-18-12-14-8(2)5-11(17)15(9)12/h3,5,9H,1,4,6-7H2,2H3,(H,13,16)
InChIKeyKISAOHHLWJERDD-UHFFFAOYSA-N
XLogP0.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-Hydroxy-6-methylpyrimidin-2-ylthio)-1-pyrrolidinylethan-1-one
CID 135443943
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
N-isobutyl-2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868617
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
2-{7-methyl-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-propylacetamide
CID 16867895
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-cyclopropyl-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868013
N-cyclopropyl-2-(6-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868185
4-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-propan-2-ylbutanamide
CID 3545127

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-prop-2-enylacetamide?
The IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-prop-2-enylacetamide (CID 16867901) is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-prop-2-enylacetamide is C=CCNC(=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-prop-2-enylacetamide?
The InChIKey is KISAOHHLWJERDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-4-13-10(16)6-9-7-18-12-14-8(2)5-11(17)15(9)12/h3,5,9H,1,4,6-7H2,2H3,(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-prop-2-enylacetamide?
2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-prop-2-enylacetamide has a molecular weight of 265.34 g/mol, XLogP of 0.89, 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-prop-2-enylacetamide is sourced from PubChem (CID 16867901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).