[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate

C22H27N3O4S — CID 75524646

IUPAC[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate
SMILESCOc1ccccc1N(C(C)=O)c1nc(COC(=O)C(C2CC2)N2CCCC2)cs1
InChIInChI=1S/C22H27N3O4S/c1-15(26)25(18-7-3-4-8-19(18)28-2)22-23-17(14-30-22)13-29-21(27)20(16-9-10-16)24-11-5-6-12-24/h3-4,7-8,14,16,20H,5-6,9-13H2,1-2H3
InChIKeyOSGIWAMPLYUWSG-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.75
Rot. Bonds8

About [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate

[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate (PubChem CID 75524646) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Name[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate
PubChem CID75524646
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate
SMILESCOc1ccccc1N(C(C)=O)c1nc(COC(=O)C(C2CC2)N2CCCC2)cs1
InChIInChI=1S/C22H27N3O4S/c1-15(26)25(18-7-3-4-8-19(18)28-2)22-23-17(14-30-22)13-29-21(27)20(16-9-10-16)24-11-5-6-12-24/h3-4,7-8,14,16,20H,5-6,9-13H2,1-2H3
InChIKeyOSGIWAMPLYUWSG-UHFFFAOYSA-N
XLogP3.75
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368761
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl (2S)-2-(benzenesulfonamido)propanoate
CID 55927992
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7478091
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 1-methylpyrrole-2-carboxylate
CID 7284487
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-acetamido-4,5-dimethoxybenzoate
CID 55311287
N-[4-[(4-acetylphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 31980575
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548719
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 42983244
2-O-[[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 30203234
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate
CID 27535390
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 3-fluoro-4-methylbenzoate
CID 9386935
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate
CID 43026778

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate?
The IUPAC name of [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate (CID 75524646) is [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate?
The canonical SMILES for [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate is COc1ccccc1N(C(C)=O)c1nc(COC(=O)C(C2CC2)N2CCCC2)cs1.
What is the InChIKey of [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate?
The InChIKey is OSGIWAMPLYUWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15(26)25(18-7-3-4-8-19(18)28-2)22-23-17(14-30-22)13-29-21(27)20(16-9-10-16)24-11-5-6-12-24/h3-4,7-8,14,16,20H,5-6,9-13H2,1-2H3.
What are the key properties of [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate?
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate has a molecular weight of 429.54 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 75524646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).