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

C6H6Cl2N2O2S — CID 126971238

IUPAC2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid
SMILESNC(Cc1sc(Cl)nc1Cl)C(=O)O
InChIInChI=1S/C6H6Cl2N2O2S/c7-4-3(13-6(8)10-4)1-2(9)5(11)12/h2H,1,9H2,(H,11,12)
InChIKeyDODFFLVUFCWUHR-UHFFFAOYSA-N
MW241.10 g/mol
LogP1.40
Rot. Bonds3

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

2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid (PubChem CID 126971238) has the molecular formula C6H6Cl2N2O2S and a molecular weight of 241.10 g/mol. Its IUPAC name is 2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid
PubChem CID126971238
Molecular FormulaC6H6Cl2N2O2S
Molecular Weight241.10 g/mol
Exact Mass239.95
IUPAC Name2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid
SMILESNC(Cc1sc(Cl)nc1Cl)C(=O)O
InChIInChI=1S/C6H6Cl2N2O2S/c7-4-3(13-6(8)10-4)1-2(9)5(11)12/h2H,1,9H2,(H,11,12)
InChIKeyDODFFLVUFCWUHR-UHFFFAOYSA-N
XLogP1.40
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124426
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CID 138987687
(2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid
CID 102841274
(2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid
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2-amino-3-(4-chloro-2,5-dimethylthiophen-3-yl)propanoic acid
CID 84697288
2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride
CID 11380226
(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458720
(2R)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458721
3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid
CID 118140935
2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride
CID 155059920
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid;hydrochloride
CID 155669952
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid (CID 126971238) is 2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid is NC(Cc1sc(Cl)nc1Cl)C(=O)O.
What is the InChIKey of 2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is DODFFLVUFCWUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2S/c7-4-3(13-6(8)10-4)1-2(9)5(11)12/h2H,1,9H2,(H,11,12).
What are the key properties of 2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid?
2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 241.10 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 126971238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).