propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate

C17H29NO3S — CID 134099302

IUPACpropan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate
SMILESCC(C)OC(=O)C1CSC(C(C)(C)C)N1C(=O)C1CCCC1
InChIInChI=1S/C17H29NO3S/c1-11(2)21-15(20)13-10-22-16(17(3,4)5)18(13)14(19)12-8-6-7-9-12/h11-13,16H,6-10H2,1-5H3
InChIKeyCQRLCSSLOPDBJU-UHFFFAOYSA-N
MW327.49 g/mol
LogP3.44
Rot. Bonds3

About propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate

propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 134099302) has the molecular formula C17H29NO3S and a molecular weight of 327.49 g/mol. Its IUPAC name is propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate
PubChem CID134099302
Molecular FormulaC17H29NO3S
Molecular Weight327.49 g/mol
Exact Mass327.19
IUPAC Namepropan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate
SMILESCC(C)OC(=O)C1CSC(C(C)(C)C)N1C(=O)C1CCCC1
InChIInChI=1S/C17H29NO3S/c1-11(2)21-15(20)13-10-22-16(17(3,4)5)18(13)14(19)12-8-6-7-9-12/h11-13,16H,6-10H2,1-5H3
InChIKeyCQRLCSSLOPDBJU-UHFFFAOYSA-N
XLogP3.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate (CID 134099302) is propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate is CC(C)OC(=O)C1CSC(C(C)(C)C)N1C(=O)C1CCCC1.
What is the InChIKey of propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is CQRLCSSLOPDBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3S/c1-11(2)21-15(20)13-10-22-16(17(3,4)5)18(13)14(19)12-8-6-7-9-12/h11-13,16H,6-10H2,1-5H3.
What are the key properties of propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate?
propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 327.49 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 134099302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).