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

C11H11N5O3S — CID 61144021

IUPAC(4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1c(C(=O)N2CSC[C@H]2C(=O)O)cnc2ncnn12
InChIInChI=1S/C11H11N5O3S/c1-6-7(2-12-11-13-4-14-16(6)11)9(17)15-5-20-3-8(15)10(18)19/h2,4,8H,3,5H2,1H3,(H,18,19)/t8-/m0/s1
InChIKeyBUAKAHARVZFMBS-QMMMGPOBSA-N
MW293.31 g/mol
LogP0.03
Rot. Bonds2

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

(4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61144021) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is (4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61144021
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Name(4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1c(C(=O)N2CSC[C@H]2C(=O)O)cnc2ncnn12
InChIInChI=1S/C11H11N5O3S/c1-6-7(2-12-11-13-4-14-16(6)11)9(17)15-5-20-3-8(15)10(18)19/h2,4,8H,3,5H2,1H3,(H,18,19)/t8-/m0/s1
InChIKeyBUAKAHARVZFMBS-QMMMGPOBSA-N
XLogP0.03
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61144021) is (4R)-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 (4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cc1c(C(=O)N2CSC[C@H]2C(=O)O)cnc2ncnn12.
What is the InChIKey of (4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BUAKAHARVZFMBS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-6-7(2-12-11-13-4-14-16(6)11)9(17)15-5-20-3-8(15)10(18)19/h2,4,8H,3,5H2,1H3,(H,18,19)/t8-/m0/s1.
What are the key properties of (4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 293.31 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61144021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).