(2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate

C18H15N3O4S — CID 24648893

IUPAC(2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
SMILESCCc1nc(COC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cs1
InChIInChI=1S/C18H15N3O4S/c1-2-14-20-11(9-26-14)8-24-15(22)7-21-10-19-16-12-5-3-4-6-13(12)25-17(16)18(21)23/h3-6,9-10H,2,7-8H2,1H3
InChIKeyIFIRCCSTBQHIJZ-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.90
Rot. Bonds5

About (2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate

(2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate (PubChem CID 24648893) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
PubChem CID24648893
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
SMILESCCc1nc(COC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cs1
InChIInChI=1S/C18H15N3O4S/c1-2-14-20-11(9-26-14)8-24-15(22)7-21-10-19-16-12-5-3-4-6-13(12)25-17(16)18(21)23/h3-6,9-10H,2,7-8H2,1H3
InChIKeyIFIRCCSTBQHIJZ-UHFFFAOYSA-N
XLogP2.90
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate with MolForge

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Related Compounds

Ethyl 2-(benzofuran-2-carboxamido)thiazole-4-carboxylate
CID 2308234
Ethyl 2-[(1-benzofuran-2-ylcarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 672646
3-[[4-(2-Benzofuranyl)-2-thiazolyl]methyl]-2-[(dimethylamino)methyl]-4-quinazolinone
CID 2104690
Ethyl 2-(2-(benzofuran-2-carboxamido)thiazol-4-yl)acetate
CID 2445379
Ethyl 2-(2-{[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]amino}ethyl)-1,3-thiazole-4-carboxylate
CID 24792042
1-Benzofuran-2-yl-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29697839
(1-Benzofuran-2-yl){4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}methanone
CID 30860430
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 24154908
2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide
CID 24672567
2-(4-fluorophenyl)-4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-5-carboxamide
CID 28028368
3-[[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 30900047
3-[[2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 32905688

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate (CID 24648893) is (2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate is CCc1nc(COC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate?
The InChIKey is IFIRCCSTBQHIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-2-14-20-11(9-26-14)8-24-15(22)7-21-10-19-16-12-5-3-4-6-13(12)25-17(16)18(21)23/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate?
(2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate has a molecular weight of 369.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate is sourced from PubChem (CID 24648893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).