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

C13H17N3O2S2 — CID 9450944

IUPAC2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide
SMILESCc1csc2nc(CSCC(=O)NC(C)C)cc(=O)n12
InChIInChI=1S/C13H17N3O2S2/c1-8(2)14-11(17)7-19-6-10-4-12(18)16-9(3)5-20-13(16)15-10/h4-5,8H,6-7H2,1-3H3,(H,14,17)
InChIKeyICZVREWJSKNFIF-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.82
Rot. Bonds5

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

2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide (PubChem CID 9450944) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide
PubChem CID9450944
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide
SMILESCc1csc2nc(CSCC(=O)NC(C)C)cc(=O)n12
InChIInChI=1S/C13H17N3O2S2/c1-8(2)14-11(17)7-19-6-10-4-12(18)16-9(3)5-20-13(16)15-10/h4-5,8H,6-7H2,1-3H3,(H,14,17)
InChIKeyICZVREWJSKNFIF-UHFFFAOYSA-N
XLogP1.82
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-(4-Methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide
CID 974720
2-(4-Hydroxy-6-methylpyrimidin-2-ylthio)-1-pyrrolidinylethan-1-one
CID 135443943
4(1H)-Pyrimidinone, 2-((2-(diethylamino)ethyl)thio)-6-methyl-, dihydrochloride
CID 135951884
N-isopropyl(6-methyl-4-oxo-1-thia-3a,7-diaza-3-indanyl)acetamide
CID 16867897
N,N-diethyl-2-(4-hydroxy-6-methylpyrimidin-2-ylthio)acetamide
CID 135426208
N,N-diethyl-2-((4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135561563
2-((4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-propylacetamide
CID 135561596
N-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 60465368
N-(3-amino-2,2-difluoropropyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 120412096
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 135561735
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 135561741
2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135951885

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide (CID 9450944) is 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide is Cc1csc2nc(CSCC(=O)NC(C)C)cc(=O)n12.
What is the InChIKey of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide?
The InChIKey is ICZVREWJSKNFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-8(2)14-11(17)7-19-6-10-4-12(18)16-9(3)5-20-13(16)15-10/h4-5,8H,6-7H2,1-3H3,(H,14,17).
What are the key properties of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide?
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide has a molecular weight of 311.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 9450944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).