tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate

C17H24N2O4S — CID 96564467

IUPACtert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
SMILESCCOc1ccc(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H24N2O4S/c1-5-22-13-8-6-12(7-9-13)18-15(20)14-10-24-11-19(14)16(21)23-17(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKeyKEAXQJJRFOWYCO-AWEZNQCLSA-N
MW352.46 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate

tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate (PubChem CID 96564467) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
PubChem CID96564467
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Nametert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
SMILESCCOc1ccc(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H24N2O4S/c1-5-22-13-8-6-12(7-9-13)18-15(20)14-10-24-11-19(14)16(21)23-17(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKeyKEAXQJJRFOWYCO-AWEZNQCLSA-N
XLogP3.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (4S)-4-[(4-bromophenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564439
tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 96564763
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
tert-butyl (4S)-4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564479
(4R)-3-(4-ethoxybenzoyl)-N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97312987
tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 94821463
N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 56785175
(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 688405
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
tert-butyl (4R)-4-[(1-amino-1-oxobutan-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 141018690
tert-butyl (2S,4S)-4-hydroxy-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70176092

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate (CID 96564467) is tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate is CCOc1ccc(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate?
The InChIKey is KEAXQJJRFOWYCO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-5-22-13-8-6-12(7-9-13)18-15(20)14-10-24-11-19(14)16(21)23-17(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,18,20)/t14-/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate?
tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate has a molecular weight of 352.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 96564467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).