2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C15H22N2O3S — CID 63780308

IUPAC2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCn1cccc1C(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C15H22N2O3S/c1-4-7-16-8-5-6-11(16)13(18)17-12(15(19)20)9-21-14(17)10(2)3/h5-6,8,10,12,14H,4,7,9H2,1-3H3,(H,19,20)
InChIKeyZRMIJSWKZCACBU-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.52
Rot. Bonds5

About 2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780308) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780308
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCn1cccc1C(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C15H22N2O3S/c1-4-7-16-8-5-6-11(16)13(18)17-12(15(19)20)9-21-14(17)10(2)3/h5-6,8,10,12,14H,4,7,9H2,1-3H3,(H,19,20)
InChIKeyZRMIJSWKZCACBU-UHFFFAOYSA-N
XLogP2.52
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-1-ethylpyrrole-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63782099
3-(4-chloro-1-ethylpyrrole-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779447
(2R,4S)-3-(2-chlorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 93033230
3-[2-(2-hydroxyphenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 80721584
1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43639021
3-[2-(2-methylphenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780312
3-(3-hydroxybenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780688
(2S,4S)-3-(3-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 7361288
3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781226
3-(3-hydroxypyridine-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780314
3-(6-bromopyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 66462662
3-(3,5-dichlorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780666

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63780308) is 2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCCn1cccc1C(=O)N1C(C(=O)O)CSC1C(C)C.
What is the InChIKey of 2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZRMIJSWKZCACBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-7-16-8-5-6-11(16)13(18)17-12(15(19)20)9-21-14(17)10(2)3/h5-6,8,10,12,14H,4,7,9H2,1-3H3,(H,19,20).
What are the key properties of 2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).