3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid

C14H27N3O3S — CID 63779933

IUPAC3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C14H27N3O3S/c1-6-7-11-17(10(8-21-11)12(18)19)13(20)15-9-14(2,3)16(4)5/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19)
InChIKeySHWDZDGOKAOUAD-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.66
Rot. Bonds6

About 3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779933) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779933
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C14H27N3O3S/c1-6-7-11-17(10(8-21-11)12(18)19)13(20)15-9-14(2,3)16(4)5/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19)
InChIKeySHWDZDGOKAOUAD-UHFFFAOYSA-N
XLogP1.66
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779770
3-[(3-methylcyclopentyl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 107414469
3-(2-propan-2-yloxyethylcarbamoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 104763793
3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 65291778
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402
3-(2-prop-2-enylsulfanylethylcarbamoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 106430361
3-[(1-methylpiperidin-4-yl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780709
3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781691
3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781001
3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 115986645

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63779933) is 3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)NCC(C)(C)N(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SHWDZDGOKAOUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-6-7-11-17(10(8-21-11)12(18)19)13(20)15-9-14(2,3)16(4)5/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19).
What are the key properties of 3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 317.46 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).