ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C26H29N3O5S — CID 40796309

IUPACethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H29N3O5S/c1-7-32-25(31)22-16(4)27-26-29(23(22)17-8-10-18(11-9-17)33-15(2)3)24(30)20(35-26)14-19-12-13-21(34-19)28(5)6/h8-15,23H,7H2,1-6H3/b20-14-/t23-/m1/s1
InChIKeyOTZHHCZVNOUKBI-QFXXMJIKSA-N
MW495.60 g/mol
LogP3.24
Rot. Bonds7

About ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 40796309) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID40796309
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Nameethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H29N3O5S/c1-7-32-25(31)22-16(4)27-26-29(23(22)17-8-10-18(11-9-17)33-15(2)3)24(30)20(35-26)14-19-12-13-21(34-19)28(5)6/h8-15,23H,7H2,1-6H3/b20-14-/t23-/m1/s1
InChIKeyOTZHHCZVNOUKBI-QFXXMJIKSA-N
XLogP3.24
TPSA86.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl (2E)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-5-(4-ethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 22306199
ethyl (5S)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-5-(4-ethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1006643
ethyl (5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-prop-2-enoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129442691
ethyl 5-(4-chlorophenyl)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 23992004
ethyl 5-(4-bromophenyl)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3318358
ethyl 2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5188847
ethyl (2E,5S)-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-2-[(4-propan-2-yloxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 26869466
ethyl (2E)-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-2-[(4-propan-2-yloxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 18869204
ethyl 2-[[5-(dimethylamino)furan-2-yl]methylidene]-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4144240
ethyl (2Z,5S)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5431865
ethyl 2-[(4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4524894
ethyl (2Z,5R)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 29093569

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 40796309) is ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1.
What is the InChIKey of ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is OTZHHCZVNOUKBI-QFXXMJIKSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-7-32-25(31)22-16(4)27-26-29(23(22)17-8-10-18(11-9-17)33-15(2)3)24(30)20(35-26)14-19-12-13-21(34-19)28(5)6/h8-15,23H,7H2,1-6H3/b20-14-/t23-/m1/s1.
What are the key properties of ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 495.60 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,5R)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 40796309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).