(4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C10H15N5O3S — CID 63330040

IUPAC(4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cnnc1CCNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H15N5O3S/c1-14-5-12-13-8(14)2-3-11-10(18)15-6-19-4-7(15)9(16)17/h5,7H,2-4,6H2,1H3,(H,11,18)(H,16,17)/t7-/m0/s1
InChIKeyTYRWMLXEVYGOTO-ZETCQYMHSA-N
MW285.33 g/mol
LogP-0.47
Rot. Bonds4

About (4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63330040) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is (4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63330040
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name(4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cnnc1CCNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H15N5O3S/c1-14-5-12-13-8(14)2-3-11-10(18)15-6-19-4-7(15)9(16)17/h5,7H,2-4,6H2,1H3,(H,11,18)(H,16,17)/t7-/m0/s1
InChIKeyTYRWMLXEVYGOTO-ZETCQYMHSA-N
XLogP-0.47
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78930077
2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744300
4-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63722185
3-[2-(triazol-1-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 113413093
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103994759
(4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62315406
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204063
(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205759
(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104867013
(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107817207

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63330040) is (4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cn1cnnc1CCNC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is TYRWMLXEVYGOTO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-14-5-12-13-8(14)2-3-11-10(18)15-6-19-4-7(15)9(16)17/h5,7H,2-4,6H2,1H3,(H,11,18)(H,16,17)/t7-/m0/s1.
What are the key properties of (4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 285.33 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63330040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).