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

C13H15N3O4S — CID 7197632

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate
SMILESCC(=O)NCCC(=O)OCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C13H15N3O4S/c1-8-7-21-13-15-10(5-11(18)16(8)13)6-20-12(19)3-4-14-9(2)17/h5,7H,3-4,6H2,1-2H3,(H,14,17)
InChIKeyZCZGHLBKNPWZRX-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.63
Rot. Bonds5

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate (PubChem CID 7197632) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate
PubChem CID7197632
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate
SMILESCC(=O)NCCC(=O)OCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C13H15N3O4S/c1-8-7-21-13-15-10(5-11(18)16(8)13)6-20-12(19)3-4-14-9(2)17/h5,7H,3-4,6H2,1-2H3,(H,14,17)
InChIKeyZCZGHLBKNPWZRX-UHFFFAOYSA-N
XLogP0.63
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl propanoate
CID 20946469
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734443
(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 46609971
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 47008860
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-acetamido-3-methylbutanoate
CID 51109431
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-acetamido-3-methylbutanoate
CID 51641223
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-acetamido-3-methylbutanoate
CID 51641224
Ethyl 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoate
CID 61972318
Ethyl 3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoate
CID 61972322
2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-dipropylacetamide
CID 136684468

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate (CID 7197632) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate is CC(=O)NCCC(=O)OCc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate?
The InChIKey is ZCZGHLBKNPWZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8-7-21-13-15-10(5-11(18)16(8)13)6-20-12(19)3-4-14-9(2)17/h5,7H,3-4,6H2,1-2H3,(H,14,17).
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate has a molecular weight of 309.35 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-acetamidopropanoate is sourced from PubChem (CID 7197632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).