5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid

C7H10N2O2S — CID 21093533

IUPAC5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1nc(C(=O)O)c(N)s1
InChIInChI=1S/C7H10N2O2S/c1-3(2)6-9-4(7(10)11)5(8)12-6/h3H,8H2,1-2H3,(H,10,11)
InChIKeySDLSAJIDZVDILY-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.55
Rot. Bonds2

About 5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid

5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 21093533) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID21093533
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1nc(C(=O)O)c(N)s1
InChIInChI=1S/C7H10N2O2S/c1-3(2)6-9-4(7(10)11)5(8)12-6/h3H,8H2,1-2H3,(H,10,11)
InChIKeySDLSAJIDZVDILY-UHFFFAOYSA-N
XLogP1.55
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid (CID 21093533) is 5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid is CC(C)c1nc(C(=O)O)c(N)s1.
What is the InChIKey of 5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is SDLSAJIDZVDILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3(2)6-9-4(7(10)11)5(8)12-6/h3H,8H2,1-2H3,(H,10,11).
What are the key properties of 5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid?
5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 21093533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).