4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid

C8H9N3O3S — CID 56766703

IUPAC4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESNc1c(C(=O)NC2CC2)nsc1C(=O)O
InChIInChI=1S/C8H9N3O3S/c9-4-5(7(12)10-3-1-2-3)11-15-6(4)8(13)14/h3H,1-2,9H2,(H,10,12)(H,13,14)
InChIKeyJFTRREPXVHWXMT-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.32
Rot. Bonds3

About 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid

4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 56766703) has the molecular formula C8H9N3O3S and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
PubChem CID56766703
Molecular FormulaC8H9N3O3S
Molecular Weight227.24 g/mol
Exact Mass227.04
IUPAC Name4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESNc1c(C(=O)NC2CC2)nsc1C(=O)O
InChIInChI=1S/C8H9N3O3S/c9-4-5(7(12)10-3-1-2-3)11-15-6(4)8(13)14/h3H,1-2,9H2,(H,10,12)(H,13,14)
InChIKeyJFTRREPXVHWXMT-UHFFFAOYSA-N
XLogP0.32
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid (CID 56766703) is 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid is Nc1c(C(=O)NC2CC2)nsc1C(=O)O.
What is the InChIKey of 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is JFTRREPXVHWXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c9-4-5(7(12)10-3-1-2-3)11-15-6(4)8(13)14/h3H,1-2,9H2,(H,10,12)(H,13,14).
What are the key properties of 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 227.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 56766703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).