2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid

C6H7ClN2O2S — CID 84674728

IUPAC2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid
SMILESNC(Cc1sncc1Cl)C(=O)O
InChIInChI=1S/C6H7ClN2O2S/c7-3-2-9-12-5(3)1-4(8)6(10)11/h2,4H,1,8H2,(H,10,11)
InChIKeyDWQGDRNBOWZLGE-UHFFFAOYSA-N
MW206.65 g/mol
LogP0.75
Rot. Bonds3

About 2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid

2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid (PubChem CID 84674728) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid
PubChem CID84674728
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid
SMILESNC(Cc1sncc1Cl)C(=O)O
InChIInChI=1S/C6H7ClN2O2S/c7-3-2-9-12-5(3)1-4(8)6(10)11/h2,4H,1,8H2,(H,10,11)
InChIKeyDWQGDRNBOWZLGE-UHFFFAOYSA-N
XLogP0.75
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid (CID 84674728) is 2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid is NC(Cc1sncc1Cl)C(=O)O.
What is the InChIKey of 2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid?
The InChIKey is DWQGDRNBOWZLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c7-3-2-9-12-5(3)1-4(8)6(10)11/h2,4H,1,8H2,(H,10,11).
What are the key properties of 2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid?
2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid has a molecular weight of 206.65 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 84674728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).