2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid

C6H7FN2O2S2 — CID 79357057

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid
SMILESCc1nc(N)sc1SC(F)C(=O)O
InChIInChI=1S/C6H7FN2O2S2/c1-2-5(13-6(8)9-2)12-3(7)4(10)11/h3H,1H3,(H2,8,9)(H,10,11)
InChIKeyCMBTZCUCYJBVQG-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.51
Rot. Bonds3

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid (PubChem CID 79357057) has the molecular formula C6H7FN2O2S2 and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid
PubChem CID79357057
Molecular FormulaC6H7FN2O2S2
Molecular Weight222.27 g/mol
Exact Mass221.99
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid
SMILESCc1nc(N)sc1SC(F)C(=O)O
InChIInChI=1S/C6H7FN2O2S2/c1-2-5(13-6(8)9-2)12-3(7)4(10)11/h3H,1H3,(H2,8,9)(H,10,11)
InChIKeyCMBTZCUCYJBVQG-UHFFFAOYSA-N
XLogP1.51
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid (CID 79357057) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid is Cc1nc(N)sc1SC(F)C(=O)O.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid?
The InChIKey is CMBTZCUCYJBVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2S2/c1-2-5(13-6(8)9-2)12-3(7)4(10)11/h3H,1H3,(H2,8,9)(H,10,11).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid has a molecular weight of 222.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid is sourced from PubChem (CID 79357057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).