N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

C18H20N4O5S — CID 16881445

IUPACN-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)Cc2csc(NC(=O)C3CCC(=O)N3)n2)c(OC)c1
InChIInChI=1S/C18H20N4O5S/c1-26-11-3-4-12(14(8-11)27-2)20-16(24)7-10-9-28-18(19-10)22-17(25)13-5-6-15(23)21-13/h3-4,8-9,13H,5-7H2,1-2H3,(H,20,24)(H,21,23)(H,19,22,25)
InChIKeyRYKSIRCDXHXRCF-UHFFFAOYSA-N
MW404.45 g/mol
LogP1.56
Rot. Bonds7

About N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 16881445) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID16881445
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC NameN-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)Cc2csc(NC(=O)C3CCC(=O)N3)n2)c(OC)c1
InChIInChI=1S/C18H20N4O5S/c1-26-11-3-4-12(14(8-11)27-2)20-16(24)7-10-9-28-18(19-10)22-17(25)13-5-6-15(23)21-13/h3-4,8-9,13H,5-7H2,1-2H3,(H,20,24)(H,21,23)(H,19,22,25)
InChIKeyRYKSIRCDXHXRCF-UHFFFAOYSA-N
XLogP1.56
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-5-oxo-N-[4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 42590179
N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881455
(2S)-N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 42590169
(2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 42590140
N-[4-[2-(3-acetamidoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881480
2-(2-anilino-1,3-thiazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 30940318
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881419
N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881421
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18567626
N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572009
N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881397
3,5-dimethoxy-N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18568093

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 16881445) is N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is COc1ccc(NC(=O)Cc2csc(NC(=O)C3CCC(=O)N3)n2)c(OC)c1.
What is the InChIKey of N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RYKSIRCDXHXRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S/c1-26-11-3-4-12(14(8-11)27-2)20-16(24)7-10-9-28-18(19-10)22-17(25)13-5-6-15(23)21-13/h3-4,8-9,13H,5-7H2,1-2H3,(H,20,24)(H,21,23)(H,19,22,25).
What are the key properties of N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 16881445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).