propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate

C19H27NO4S — CID 42745536

IUPACpropyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(CC(C)C)N1C(=O)c1ccccc1OC
InChIInChI=1S/C19H27NO4S/c1-5-10-24-19(22)15-12-25-17(11-13(2)3)20(15)18(21)14-8-6-7-9-16(14)23-4/h6-9,13,15,17H,5,10-12H2,1-4H3
InChIKeyYUMMCGYLTORGST-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.58
Rot. Bonds7

About propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate

propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42745536) has the molecular formula C19H27NO4S and a molecular weight of 365.50 g/mol. Its IUPAC name is propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42745536
Molecular FormulaC19H27NO4S
Molecular Weight365.50 g/mol
Exact Mass365.17
IUPAC Namepropyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(CC(C)C)N1C(=O)c1ccccc1OC
InChIInChI=1S/C19H27NO4S/c1-5-10-24-19(22)15-12-25-17(11-13(2)3)20(15)18(21)14-8-6-7-9-16(14)23-4/h6-9,13,15,17H,5,10-12H2,1-4H3
InChIKeyYUMMCGYLTORGST-UHFFFAOYSA-N
XLogP3.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745545
butyl 2-(2-methylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxylate
CID 42745503
butyl 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745476
(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809608
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide
CID 42745380
(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 6945921
butyl (2R,4S)-3-[(4-ethylphenyl)carbamoyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 7301832
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide
CID 42745398
butyl 3-[(4-cyanophenyl)carbamoyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 3561948
butyl 2-(2-methylpropyl)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 5154107
2-methylpropyl 2-(2-methylpropyl)-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylate
CID 4658197
2-methylpropyl 3-(3-fluorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745552

Frequently Asked Questions

What is the IUPAC name of propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate (CID 42745536) is propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate is CCCOC(=O)C1CSC(CC(C)C)N1C(=O)c1ccccc1OC.
What is the InChIKey of propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is YUMMCGYLTORGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4S/c1-5-10-24-19(22)15-12-25-17(11-13(2)3)20(15)18(21)14-8-6-7-9-16(14)23-4/h6-9,13,15,17H,5,10-12H2,1-4H3.
What are the key properties of propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 365.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42745536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).