(2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C32H39N3O6S — CID 126100785

IUPAC(2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OC(C)C
InChIInChI=1S/C32H39N3O6S/c1-9-34(10-2)31(37)28-20(6)33-32-35(29(28)23-18-22(38-7)13-15-24(23)39-8)30(36)27(42-32)17-21-12-14-25(41-19(4)5)26(16-21)40-11-3/h12-19,29H,9-11H2,1-8H3/b27-17+/t29-/m0/s1
InChIKeyDSRKTYNHNGMUBJ-HRIDGTDGSA-N
MW593.75 g/mol
LogP4.31
Rot. Bonds11

About (2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126100785) has the molecular formula C32H39N3O6S and a molecular weight of 593.75 g/mol. Its IUPAC name is (2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126100785
Molecular FormulaC32H39N3O6S
Molecular Weight593.75 g/mol
Exact Mass593.26
IUPAC Name(2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OC(C)C
InChIInChI=1S/C32H39N3O6S/c1-9-34(10-2)31(37)28-20(6)33-32-35(29(28)23-18-22(38-7)13-15-24(23)39-8)30(36)27(42-32)17-21-12-14-25(41-19(4)5)26(16-21)40-11-3/h12-19,29H,9-11H2,1-8H3/b27-17+/t29-/m0/s1
InChIKeyDSRKTYNHNGMUBJ-HRIDGTDGSA-N
XLogP4.31
TPSA91.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.75
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(2E,5R)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126100788
(2E,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126099416
(2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126109392
(2E,5R)-2-[(3-chloro-4-ethoxyphenyl)methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126107408
(2E,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126100666
(2E,5S)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126100667
ethyl 2-[4-[(E)-[(5S)-6-(diethylcarbamoyl)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 126102533
ethyl 2-[4-[(E)-[(5R)-6-(diethylcarbamoyl)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 126102542
(2E,5S)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126102745
(2E,5R)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98219742
ethyl (2Z,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124543329
(2E,5S)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-2-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126112554

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of (2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126100785) is (2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for (2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OC(C)C.
What is the InChIKey of (2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DSRKTYNHNGMUBJ-HRIDGTDGSA-N. The full InChI is InChI=1S/C32H39N3O6S/c1-9-34(10-2)31(37)28-20(6)33-32-35(29(28)23-18-22(38-7)13-15-24(23)39-8)30(36)27(42-32)17-21-12-14-25(41-19(4)5)26(16-21)40-11-3/h12-19,29H,9-11H2,1-8H3/b27-17+/t29-/m0/s1.
What are the key properties of (2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
(2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 593.75 g/mol, XLogP of 4.31, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126100785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).