N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C35H32N4O8S — CID 90486550

IUPACN,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESC=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2C1c1ccc(OC(=O)c2ccco2)cc1.CN(C)C=O
InChIInChI=1S/C32H25N3O7S.C3H7NO/c1-4-16-41-31(39)24-18(3)33-32-35(26(24)19-12-14-20(15-13-19)42-30(38)23-11-8-17-40-23)29(37)27(43-32)25-21-9-6-7-10-22(21)34(5-2)28(25)36;1-4(2)3-5/h4,6-15,17,26H,1,5,16H2,2-3H3;3H,1-2H3/b27-25-;
InChIKeyYWYKFCUESFBJBK-WZRSSYQVSA-N
MW668.73 g/mol
LogP3.22
Rot. Bonds8

About N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 90486550) has the molecular formula C35H32N4O8S and a molecular weight of 668.73 g/mol. Its IUPAC name is N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound NameN,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID90486550
Molecular FormulaC35H32N4O8S
Molecular Weight668.73 g/mol
Exact Mass668.19
IUPAC NameN,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESC=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2C1c1ccc(OC(=O)c2ccco2)cc1.CN(C)C=O
InChIInChI=1S/C32H25N3O7S.C3H7NO/c1-4-16-41-31(39)24-18(3)33-32-35(26(24)19-12-14-20(15-13-19)42-30(38)23-11-8-17-40-23)29(37)27(43-32)25-21-9-6-7-10-22(21)34(5-2)28(25)36;1-4(2)3-5/h4,6-15,17,26H,1,5,16H2,2-3H3;3H,1-2H3/b27-25-;
InChIKeyYWYKFCUESFBJBK-WZRSSYQVSA-N
XLogP3.22
TPSA140.72 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.73
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2064505
2-methoxyethyl (2Z,5S)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-2-(2-oxo-1-prop-2-enylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98131604
methyl 5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-2-(2-oxo-1-prop-2-enylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3631572
methyl (2Z,5S)-5-[4-(furan-2-carbonyloxy)phenyl]-2-(1-heptyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 99657988
prop-2-enyl 2-(1-benzyl-2-oxoindol-3-ylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3541338
ethyl (5R)-5-(4-acetyloxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 984848
ethyl (5S)-5-(4-acetyloxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 984851
prop-2-enyl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1-propylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3803868
2-methoxyethyl 5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3555927
prop-2-enyl (2Z)-5-(4-acetyloxy-3-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 22529212
ethyl (2Z)-5-(furan-2-yl)-7-methyl-3-oxo-2-(2-oxo-1-prop-2-enylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2934135
prop-2-enyl 2-(1-butyl-2-oxoindol-3-ylidene)-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3378651

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 90486550) is N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2C1c1ccc(OC(=O)c2ccco2)cc1.CN(C)C=O.
What is the InChIKey of N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is YWYKFCUESFBJBK-WZRSSYQVSA-N. The full InChI is InChI=1S/C32H25N3O7S.C3H7NO/c1-4-16-41-31(39)24-18(3)33-32-35(26(24)19-12-14-20(15-13-19)42-30(38)23-11-8-17-40-23)29(37)27(43-32)25-21-9-6-7-10-22(21)34(5-2)28(25)36;1-4(2)3-5/h4,6-15,17,26H,1,5,16H2,2-3H3;3H,1-2H3/b27-25-;.
What are the key properties of N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 668.73 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;prop-2-enyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 90486550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).