2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C11H18N6O3S — CID 63780663

IUPAC2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C11H18N6O3S/c1-3-4-8-17(7(5-21-8)10(18)19)11(20)12-6(2)9-13-15-16-14-9/h6-8H,3-5H2,1-2H3,(H,12,20)(H,18,19)(H,13,14,15,16)
InChIKeyFBGYYPWTNHPJTP-UHFFFAOYSA-N
MW314.37 g/mol
LogP0.60
Rot. Bonds5

About 2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780663) has the molecular formula C11H18N6O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780663
Molecular FormulaC11H18N6O3S
Molecular Weight314.37 g/mol
Exact Mass314.12
IUPAC Name2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C11H18N6O3S/c1-3-4-8-17(7(5-21-8)10(18)19)11(20)12-6(2)9-13-15-16-14-9/h6-8H,3-5H2,1-2H3,(H,12,20)(H,18,19)(H,13,14,15,16)
InChIKeyFBGYYPWTNHPJTP-UHFFFAOYSA-N
XLogP0.60
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779950
3-(2-propan-2-yloxyethylcarbamoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 104763793
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612
3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779770
2-ethyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780542
3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781691
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781307
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516
3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792541
2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63843413
3-[(1-methylpiperidin-4-yl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780709

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63780663) is 2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)NC(C)c1nn[nH]n1.
What is the InChIKey of 2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FBGYYPWTNHPJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3S/c1-3-4-8-17(7(5-21-8)10(18)19)11(20)12-6(2)9-13-15-16-14-9/h6-8H,3-5H2,1-2H3,(H,12,20)(H,18,19)(H,13,14,15,16).
What are the key properties of 2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 314.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).