5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid

C7H8N2O2S — CID 83696847

IUPAC5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(C2CC2)nc1C(=O)O
InChIInChI=1S/C7H8N2O2S/c8-5-4(7(10)11)9-6(12-5)3-1-2-3/h3H,1-2,8H2,(H,10,11)
InChIKeyPINDNCWWZDFGDP-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.30
Rot. Bonds2

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

5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid (PubChem CID 83696847) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid
PubChem CID83696847
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(C2CC2)nc1C(=O)O
InChIInChI=1S/C7H8N2O2S/c8-5-4(7(10)11)9-6(12-5)3-1-2-3/h3H,1-2,8H2,(H,10,11)
InChIKeyPINDNCWWZDFGDP-UHFFFAOYSA-N
XLogP1.30
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid (CID 83696847) is 5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid is Nc1sc(C2CC2)nc1C(=O)O.
What is the InChIKey of 5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is PINDNCWWZDFGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c8-5-4(7(10)11)9-6(12-5)3-1-2-3/h3H,1-2,8H2,(H,10,11).
What are the key properties of 5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid?
5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 184.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 83696847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).