5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid

C8H12N2O2S — CID 68547853

IUPAC5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)c1nc(C(=O)O)c(N)s1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)7-10-4(6(11)12)5(9)13-7/h9H2,1-3H3,(H,11,12)
InChIKeyLLWKUHVSVTVUEL-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.72
Rot. Bonds1

About 5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid

5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid (PubChem CID 68547853) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid
PubChem CID68547853
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)c1nc(C(=O)O)c(N)s1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)7-10-4(6(11)12)5(9)13-7/h9H2,1-3H3,(H,11,12)
InChIKeyLLWKUHVSVTVUEL-UHFFFAOYSA-N
XLogP1.72
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
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-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid (CID 68547853) is 5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid is CC(C)(C)c1nc(C(=O)O)c(N)s1.
What is the InChIKey of 5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is LLWKUHVSVTVUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(2,3)7-10-4(6(11)12)5(9)13-7/h9H2,1-3H3,(H,11,12).
What are the key properties of 5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid?
5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 200.26 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 68547853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).