(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate

C16H16N2O3S2 — CID 7683603

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)sc1C
InChIInChI=1S/C16H16N2O3S2/c1-3-4-11-7-13(23-10(11)2)15(20)21-9-12-8-14(19)18-5-6-22-16(18)17-12/h5-8H,3-4,9H2,1-2H3
InChIKeyBUOFKVUXXDJQMD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.44
Rot. Bonds5

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate (PubChem CID 7683603) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate
PubChem CID7683603
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)sc1C
InChIInChI=1S/C16H16N2O3S2/c1-3-4-11-7-13(23-10(11)2)15(20)21-9-12-8-14(19)18-5-6-22-16(18)17-12/h5-8H,3-4,9H2,1-2H3
InChIKeyBUOFKVUXXDJQMD-UHFFFAOYSA-N
XLogP3.44
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651266
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate
CID 7891322
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethylbenzoate
CID 2659498
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 18080734
4-O-ethyl 2-O-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2659726
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7274928
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-bromobenzoate
CID 2653790
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(methoxymethyl)benzoate
CID 7587802
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
CID 42925805
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 115334073
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-ethylsulfanylbenzoate
CID 8658536
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 2502027

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate (CID 7683603) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate is CCCc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)sc1C.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate?
The InChIKey is BUOFKVUXXDJQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-3-4-11-7-13(23-10(11)2)15(20)21-9-12-8-14(19)18-5-6-22-16(18)17-12/h5-8H,3-4,9H2,1-2H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate is sourced from PubChem (CID 7683603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).