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

C8H10N2O2S — CID 16768470

IUPAC5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC2CC2)c1C(=O)O
InChIInChI=1S/C8H10N2O2S/c1-4-6(8(11)12)7(13-10-4)9-5-2-3-5/h5,9H,2-3H2,1H3,(H,11,12)
InChIKeyKKSGNJMNLUYXQP-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.72
Rot. Bonds3

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

5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 16768470) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID16768470
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC2CC2)c1C(=O)O
InChIInChI=1S/C8H10N2O2S/c1-4-6(8(11)12)7(13-10-4)9-5-2-3-5/h5,9H,2-3H2,1H3,(H,11,12)
InChIKeyKKSGNJMNLUYXQP-UHFFFAOYSA-N
XLogP1.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid (CID 16768470) is 5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC2CC2)c1C(=O)O.
What is the InChIKey of 5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is KKSGNJMNLUYXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-4-6(8(11)12)7(13-10-4)9-5-2-3-5/h5,9H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 198.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 16768470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).