4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid

C6H8N2O2S — CID 742073

IUPAC4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid
SMILESCNc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C6H8N2O2S/c1-3-4(5(9)10)11-6(7-2)8-3/h1-2H3,(H,7,8)(H,9,10)
InChIKeySTAHVMUZZJQAEQ-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.19
Rot. Bonds2

About 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 742073) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID742073
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid
SMILESCNc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C6H8N2O2S/c1-3-4(5(9)10)11-6(7-2)8-3/h1-2H3,(H,7,8)(H,9,10)
InChIKeySTAHVMUZZJQAEQ-UHFFFAOYSA-N
XLogP1.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid (CID 742073) is 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid is CNc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is STAHVMUZZJQAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-3-4(5(9)10)11-6(7-2)8-3/h1-2H3,(H,7,8)(H,9,10).
What are the key properties of 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 172.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 742073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).