butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate

C17H29NO4S — CID 42658122

IUPACbutyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCCOC(=O)C1CSC(C2CCCCC2)N1C(=O)COC
InChIInChI=1S/C17H29NO4S/c1-3-4-10-22-17(20)14-12-23-16(13-8-6-5-7-9-13)18(14)15(19)11-21-2/h13-14,16H,3-12H2,1-2H3
InChIKeyDTZSYQPFRGJQEJ-UHFFFAOYSA-N
MW343.49 g/mol
LogP2.83
Rot. Bonds7

About butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate

butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42658122) has the molecular formula C17H29NO4S and a molecular weight of 343.49 g/mol. Its IUPAC name is butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namebutyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42658122
Molecular FormulaC17H29NO4S
Molecular Weight343.49 g/mol
Exact Mass343.18
IUPAC Namebutyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCCOC(=O)C1CSC(C2CCCCC2)N1C(=O)COC
InChIInChI=1S/C17H29NO4S/c1-3-4-10-22-17(20)14-12-23-16(13-8-6-5-7-9-13)18(14)15(19)11-21-2/h13-14,16H,3-12H2,1-2H3
InChIKeyDTZSYQPFRGJQEJ-UHFFFAOYSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 3-(4-chlorobenzoyl)-2-cyclohexyl-1,3-thiazolidine-4-carboxylate
CID 42729805
methyl 2-cyclohexyl-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 42729761
propyl (2S,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 7249234
propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 7249232
propyl (2R,4R)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 7249231
butyl 3-butanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 42748996
propyl (2S,4R)-2-cyclohexyl-3-[(3,4-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 7236951
butyl (2S,4R)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7296605
butyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 58391424
butyl (2S,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7415567
butyl (2R,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7415565
butyl (2S,4S)-3-(4-methoxybenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7417425

Frequently Asked Questions

What is the IUPAC name of butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate (CID 42658122) is butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate is CCCCOC(=O)C1CSC(C2CCCCC2)N1C(=O)COC.
What is the InChIKey of butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is DTZSYQPFRGJQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4S/c1-3-4-10-22-17(20)14-12-23-16(13-8-6-5-7-9-13)18(14)15(19)11-21-2/h13-14,16H,3-12H2,1-2H3.
What are the key properties of butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate?
butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 343.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42658122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).