2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid

C15H25NO3S — CID 42729007

IUPAC2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)C1SCC(C(=O)O)N1C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO3S/c1-15(2,3)14-16(11(9-20-14)13(18)19)12(17)10-7-5-4-6-8-10/h10-11,14H,4-9H2,1-3H3,(H,18,19)
InChIKeyWPZBNBVTXJWPNW-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.97
Rot. Bonds2

About 2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid

2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 42729007) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID42729007
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)C1SCC(C(=O)O)N1C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO3S/c1-15(2,3)14-16(11(9-20-14)13(18)19)12(17)10-7-5-4-6-8-10/h10-11,14H,4-9H2,1-3H3,(H,18,19)
InChIKeyWPZBNBVTXJWPNW-UHFFFAOYSA-N
XLogP2.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-tert-butyl-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 134099302
3-(4-tert-butylcyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63790556
(4R)-2-tert-butyl-4-carbamoyl-1,3-thiazolidine-3-carboxylic acid
CID 66878900
2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235129
2-tert-butyl-3-(3,5-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729014
2-tert-butyl-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729011
2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 134091494
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237845

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 42729007) is 2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)(C)C1SCC(C(=O)O)N1C(=O)C1CCCCC1.
What is the InChIKey of 2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WPZBNBVTXJWPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-15(2,3)14-16(11(9-20-14)13(18)19)12(17)10-7-5-4-6-8-10/h10-11,14H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 299.44 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 42729007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).