2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H13N5O3S — CID 63791778

IUPAC2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1c(C(=O)N2C(C)SCC2C(=O)O)cnc2ncnn12
InChIInChI=1S/C12H13N5O3S/c1-6-8(3-13-12-14-5-15-17(6)12)10(18)16-7(2)21-4-9(16)11(19)20/h3,5,7,9H,4H2,1-2H3,(H,19,20)
InChIKeyAHYGWJGWBXGJBU-UHFFFAOYSA-N
MW307.34 g/mol
LogP0.42
Rot. Bonds2

About 2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791778) has the molecular formula C12H13N5O3S and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791778
Molecular FormulaC12H13N5O3S
Molecular Weight307.34 g/mol
Exact Mass307.07
IUPAC Name2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1c(C(=O)N2C(C)SCC2C(=O)O)cnc2ncnn12
InChIInChI=1S/C12H13N5O3S/c1-6-8(3-13-12-14-5-15-17(6)12)10(18)16-7(2)21-4-9(16)11(19)20/h3,5,7,9H,4H2,1-2H3,(H,19,20)
InChIKeyAHYGWJGWBXGJBU-UHFFFAOYSA-N
XLogP0.42
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63791778) is 2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cc1c(C(=O)N2C(C)SCC2C(=O)O)cnc2ncnn12.
What is the InChIKey of 2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AHYGWJGWBXGJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c1-6-8(3-13-12-14-5-15-17(6)12)10(18)16-7(2)21-4-9(16)11(19)20/h3,5,7,9H,4H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 307.34 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).