ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C33H29N3O7S — CID 126390992

IUPACethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc24)C(C(=O)OCC)=C(C)N=3)c2ccccc21
InChIInChI=1S/C33H29N3O7S/c1-5-42-24(37)17-35-22-14-10-9-13-21(22)27(30(35)38)29-31(39)36-28(25(32(40)43-6-2)18(3)34-33(36)44-29)26-20-12-8-7-11-19(20)15-16-23(26)41-4/h7-16,28H,5-6,17H2,1-4H3/b29-27+/t28-/m0/s1
InChIKeyFHXKYWCUQSUAHO-TXTDGAROSA-N
MW611.68 g/mol
LogP3.24
Rot. Bonds7

About ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 126390992) has the molecular formula C33H29N3O7S and a molecular weight of 611.68 g/mol. Its IUPAC name is ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID126390992
Molecular FormulaC33H29N3O7S
Molecular Weight611.68 g/mol
Exact Mass611.17
IUPAC Nameethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc24)C(C(=O)OCC)=C(C)N=3)c2ccccc21
InChIInChI=1S/C33H29N3O7S/c1-5-42-24(37)17-35-22-14-10-9-13-21(22)27(30(35)38)29-31(39)36-28(25(32(40)43-6-2)18(3)34-33(36)44-29)26-20-12-8-7-11-19(20)15-16-23(26)41-4/h7-16,28H,5-6,17H2,1-4H3/b29-27+/t28-/m0/s1
InChIKeyFHXKYWCUQSUAHO-TXTDGAROSA-N
XLogP3.24
TPSA116.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.68
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124553321
ethyl (2Z,5R)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126117355
ethyl (2Z,5S)-5-(2-methoxynaphthalen-1-yl)-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126123133
(2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126116009
(2E,5S)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126116010
ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126394748
ethyl (2Z)-5-(3,4-dimethoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3126642
ethyl (2E,5S)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-3-oxo-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126393140
(2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126148352
ethyl 2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4231574
ethyl (2Z,5R)-2-(anthracen-9-ylmethylidene)-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98123733
ethyl (2E,5S)-2-(1-butyl-2-oxoindol-3-ylidene)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126393354

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 126390992) is ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc24)C(C(=O)OCC)=C(C)N=3)c2ccccc21.
What is the InChIKey of ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is FHXKYWCUQSUAHO-TXTDGAROSA-N. The full InChI is InChI=1S/C33H29N3O7S/c1-5-42-24(37)17-35-22-14-10-9-13-21(22)27(30(35)38)29-31(39)36-28(25(32(40)43-6-2)18(3)34-33(36)44-29)26-20-12-8-7-11-19(20)15-16-23(26)41-4/h7-16,28H,5-6,17H2,1-4H3/b29-27+/t28-/m0/s1.
What are the key properties of ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 611.68 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,5R)-2-[1-(2-ethoxy-2-oxoethyl)-2-oxoindol-3-ylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 126390992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).