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

C6H7ClN2O2S — CID 84674729

IUPAC3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid
SMILESNC(CC(=O)O)c1sncc1Cl
InChIInChI=1S/C6H7ClN2O2S/c7-3-2-9-12-6(3)4(8)1-5(10)11/h2,4H,1,8H2,(H,10,11)
InChIKeyNOKPGDFBJTUAIW-UHFFFAOYSA-N
MW206.65 g/mol
LogP1.27
Rot. Bonds3

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

3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid (PubChem CID 84674729) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid
PubChem CID84674729
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid
SMILESNC(CC(=O)O)c1sncc1Cl
InChIInChI=1S/C6H7ClN2O2S/c7-3-2-9-12-6(3)4(8)1-5(10)11/h2,4H,1,8H2,(H,10,11)
InChIKeyNOKPGDFBJTUAIW-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chloro-1,2-thiazol-5-yl)propanoic acid
CID 84663670
2-Amino-2-(4-chloro-1,2-thiazol-5-yl)acetic acid
CID 84664406
3-Amino-3-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
CID 84664429
3-(4-Chloro-1,2-thiazol-5-yl)-2-methylpropanoic acid
CID 84673771
2-Amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid
CID 84674728
3-Amino-2-(4-chloro-1,2-thiazol-5-yl)propanoic acid
CID 84674730
4-Amino-4-(4-chloro-1,2-thiazol-5-yl)butanoic acid
CID 84686276
4-Amino-3-(4-chloro-1,2-thiazol-5-yl)butanoic acid
CID 84686277
3-Amino-3-(4-bromo-1,2-thiazol-5-yl)propanoic acid
CID 84707375
(3S)-3-amino-3-(4-bromo-1,2-thiazol-5-yl)propanoic acid
CID 165506282
(3R)-3-amino-3-(4-bromo-1,2-thiazol-5-yl)propanoic acid
CID 165508378

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid?
The IUPAC name of 3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid (CID 84674729) is 3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid is NC(CC(=O)O)c1sncc1Cl.
What is the InChIKey of 3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid?
The InChIKey is NOKPGDFBJTUAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c7-3-2-9-12-6(3)4(8)1-5(10)11/h2,4H,1,8H2,(H,10,11).
What are the key properties of 3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid?
3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid has a molecular weight of 206.65 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-chloro-1,2-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 84674729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).