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

C12H19N5O3S — CID 64525696

IUPAC2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C12H19N5O3S/c1-2-3-10-17(8(6-21-10)11(18)19)12(20)13-5-4-9-14-7-15-16-9/h7-8,10H,2-6H2,1H3,(H,13,20)(H,18,19)(H,14,15,16)
InChIKeyJYVVVYHIBJTCJM-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.69
Rot. Bonds6

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

2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 64525696) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID64525696
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C12H19N5O3S/c1-2-3-10-17(8(6-21-10)11(18)19)12(20)13-5-4-9-14-7-15-16-9/h7-8,10H,2-6H2,1H3,(H,13,20)(H,18,19)(H,14,15,16)
InChIKeyJYVVVYHIBJTCJM-UHFFFAOYSA-N
XLogP0.69
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

3-(2-propan-2-yloxyethylcarbamoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 104763793
3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779770
4-hydroxy-1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64524703
3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781691
3-(2-prop-2-enylsulfanylethylcarbamoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 106430361
1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64524307
3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779933
2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 64618296
2-methyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63824871
2-ethyl-3-[2-(furan-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780051
5-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperazine-2-carboxylic acid
CID 107438867
3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792058

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 64525696) is 2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JYVVVYHIBJTCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-2-3-10-17(8(6-21-10)11(18)19)12(20)13-5-4-9-14-7-15-16-9/h7-8,10H,2-6H2,1H3,(H,13,20)(H,18,19)(H,14,15,16).
What are the key properties of 2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 64525696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).