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

C17H12N2O4S — CID 2667008

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2cc(=O)n3ccsc3n2)oc2ccccc12
InChIInChI=1S/C17H12N2O4S/c1-10-12-4-2-3-5-13(12)23-15(10)16(21)22-9-11-8-14(20)19-6-7-24-17(19)18-11/h2-8H,9H2,1H3
InChIKeyGAFMDJVXSKTPGP-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.17
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2667008) has the molecular formula C17H12N2O4S and a molecular weight of 340.36 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate
PubChem CID2667008
Molecular FormulaC17H12N2O4S
Molecular Weight340.36 g/mol
Exact Mass340.05
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2cc(=O)n3ccsc3n2)oc2ccccc12
InChIInChI=1S/C17H12N2O4S/c1-10-12-4-2-3-5-13(12)23-15(10)16(21)22-9-11-8-14(20)19-6-7-24-17(19)18-11/h2-8H,9H2,1H3
InChIKeyGAFMDJVXSKTPGP-UHFFFAOYSA-N
XLogP3.17
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoate
CID 2495626
3-{[(4-Hydroxypyrimidin-2-yl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid
CID 28981920
(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270300
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135457068
(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-1-benzofuran-2-carboxylate
CID 2127829
(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl benzofuran-2-carboxylate
CID 7253913
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 4855402
Methyl 5-[[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate
CID 7338861
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8608542
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8608567
2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8950457
(7-Methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8950946

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate (CID 2667008) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCc2cc(=O)n3ccsc3n2)oc2ccccc12.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is GAFMDJVXSKTPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4S/c1-10-12-4-2-3-5-13(12)23-15(10)16(21)22-9-11-8-14(20)19-6-7-24-17(19)18-11/h2-8H,9H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 340.36 g/mol, XLogP of 3.17, 3 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 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2667008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).