ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

C17H30N2O4S2 — CID 11101222

IUPACethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1N(CN2CSC(C)(C)[C@@H]2C(=O)OCC)CSC1(C)C
InChIInChI=1S/C17H30N2O4S2/c1-7-22-14(20)12-16(3,4)24-10-18(12)9-19-11-25-17(5,6)13(19)15(21)23-8-2/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1
InChIKeyCFZWIWXXGIEKEL-STQMWFEESA-N
MW390.57 g/mol
LogP2.38
Rot. Bonds6

About ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 11101222) has the molecular formula C17H30N2O4S2 and a molecular weight of 390.57 g/mol. Its IUPAC name is ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
PubChem CID11101222
Molecular FormulaC17H30N2O4S2
Molecular Weight390.57 g/mol
Exact Mass390.16
IUPAC Nameethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1N(CN2CSC(C)(C)[C@@H]2C(=O)OCC)CSC1(C)C
InChIInChI=1S/C17H30N2O4S2/c1-7-22-14(20)12-16(3,4)24-10-18(12)9-19-11-25-17(5,6)13(19)15(21)23-8-2/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1
InChIKeyCFZWIWXXGIEKEL-STQMWFEESA-N
XLogP2.38
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate (CID 11101222) is ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate is CCOC(=O)[C@@H]1N(CN2CSC(C)(C)[C@@H]2C(=O)OCC)CSC1(C)C.
What is the InChIKey of ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is CFZWIWXXGIEKEL-STQMWFEESA-N. The full InChI is InChI=1S/C17H30N2O4S2/c1-7-22-14(20)12-16(3,4)24-10-18(12)9-19-11-25-17(5,6)13(19)15(21)23-8-2/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1.
What are the key properties of ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 390.57 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 11101222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).