(2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid

C10H8Cl2N2O2S — CID 54325540

IUPAC(2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid
SMILESN[C@H](Cc1nc2cc(Cl)c(Cl)cc2s1)C(=O)O
InChIInChI=1S/C10H8Cl2N2O2S/c11-4-1-7-8(2-5(4)12)17-9(14-7)3-6(13)10(15)16/h1-2,6H,3,13H2,(H,15,16)/t6-/m1/s1
InChIKeySUQHUDZUMUDAJB-ZCFIWIBFSA-N
MW291.16 g/mol
LogP2.56
Rot. Bonds3

About (2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid

(2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid (PubChem CID 54325540) has the molecular formula C10H8Cl2N2O2S and a molecular weight of 291.16 g/mol. Its IUPAC name is (2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid
PubChem CID54325540
Molecular FormulaC10H8Cl2N2O2S
Molecular Weight291.16 g/mol
Exact Mass289.97
IUPAC Name(2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid
SMILESN[C@H](Cc1nc2cc(Cl)c(Cl)cc2s1)C(=O)O
InChIInChI=1S/C10H8Cl2N2O2S/c11-4-1-7-8(2-5(4)12)17-9(14-7)3-6(13)10(15)16/h1-2,6H,3,13H2,(H,15,16)/t6-/m1/s1
InChIKeySUQHUDZUMUDAJB-ZCFIWIBFSA-N
XLogP2.56
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid (CID 54325540) is (2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid is N[C@H](Cc1nc2cc(Cl)c(Cl)cc2s1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid?
The InChIKey is SUQHUDZUMUDAJB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S/c11-4-1-7-8(2-5(4)12)17-9(14-7)3-6(13)10(15)16/h1-2,6H,3,13H2,(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid?
(2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid has a molecular weight of 291.16 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid is sourced from PubChem (CID 54325540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).