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

C6H7FN2O2S — CID 130504711

IUPAC5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCCF
InChIInChI=1S/C6H7FN2O2S/c7-1-2-8-5-4(6(10)11)9-3-12-5/h3,8H,1-2H2,(H,10,11)
InChIKeyHDKDNDUXPVUIDG-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.22
Rot. Bonds4

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

5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 130504711) has the molecular formula C6H7FN2O2S and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID130504711
Molecular FormulaC6H7FN2O2S
Molecular Weight190.20 g/mol
Exact Mass190.02
IUPAC Name5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCCF
InChIInChI=1S/C6H7FN2O2S/c7-1-2-8-5-4(6(10)11)9-3-12-5/h3,8H,1-2H2,(H,10,11)
InChIKeyHDKDNDUXPVUIDG-UHFFFAOYSA-N
XLogP1.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid (CID 130504711) is 5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NCCF.
What is the InChIKey of 5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is HDKDNDUXPVUIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2S/c7-1-2-8-5-4(6(10)11)9-3-12-5/h3,8H,1-2H2,(H,10,11).
What are the key properties of 5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid?
5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 130504711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).