ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C26H23N3O5S — CID 3126636

IUPACethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2C1c1ccc(OC)cc1
InChIInChI=1S/C26H23N3O5S/c1-5-34-25(32)19-14(2)27-26-29(21(19)15-10-12-16(33-4)13-11-15)24(31)22(35-26)20-17-8-6-7-9-18(17)28(3)23(20)30/h6-13,21H,5H2,1-4H3/b22-20-
InChIKeyBZIMDYAPGLHPGX-XDOYNYLZSA-N
MW489.55 g/mol
LogP2.15
Rot. Bonds4

About ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 3126636) has the molecular formula C26H23N3O5S and a molecular weight of 489.55 g/mol. Its IUPAC name is ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID3126636
Molecular FormulaC26H23N3O5S
Molecular Weight489.55 g/mol
Exact Mass489.14
IUPAC Nameethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2C1c1ccc(OC)cc1
InChIInChI=1S/C26H23N3O5S/c1-5-34-25(32)19-14(2)27-26-29(21(19)15-10-12-16(33-4)13-11-15)24(31)22(35-26)20-17-8-6-7-9-18(17)28(3)23(20)30/h6-13,21H,5H2,1-4H3/b22-20-
InChIKeyBZIMDYAPGLHPGX-XDOYNYLZSA-N
XLogP2.15
TPSA90.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 3126636) is ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2C1c1ccc(OC)cc1.
What is the InChIKey of ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is BZIMDYAPGLHPGX-XDOYNYLZSA-N. The full InChI is InChI=1S/C26H23N3O5S/c1-5-34-25(32)19-14(2)27-26-29(21(19)15-10-12-16(33-4)13-11-15)24(31)22(35-26)20-17-8-6-7-9-18(17)28(3)23(20)30/h6-13,21H,5H2,1-4H3/b22-20-.
What are the key properties of ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 489.55 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3126636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).