(2S)-2-aminopropanoic acid;1,3-thiazole

C6H10N2O2S — CID 22809796

IUPAC(2S)-2-aminopropanoic acid;1,3-thiazole
SMILESC[C@H](N)C(=O)O.c1cscn1
InChIInChI=1S/C3H7NO2.C3H3NS/c1-2(4)3(5)6;1-2-5-3-4-1/h2H,4H2,1H3,(H,5,6);1-3H/t2-;/m0./s1
InChIKeyZFTNJJZYZWLTRP-DKWTVANSSA-N
MW174.23 g/mol
LogP0.56
Rot. Bonds1

About (2S)-2-aminopropanoic acid;1,3-thiazole

(2S)-2-aminopropanoic acid;1,3-thiazole (PubChem CID 22809796) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;1,3-thiazole.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;1,3-thiazole
PubChem CID22809796
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC Name(2S)-2-aminopropanoic acid;1,3-thiazole
SMILESC[C@H](N)C(=O)O.c1cscn1
InChIInChI=1S/C3H7NO2.C3H3NS/c1-2(4)3(5)6;1-2-5-3-4-1/h2H,4H2,1H3,(H,5,6);1-3H/t2-;/m0./s1
InChIKeyZFTNJJZYZWLTRP-DKWTVANSSA-N
XLogP0.56
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

beta-(2-Thiazolyl)-DL-alanine
CID 4684973
2-Thiazolealanine
CID 5488184
(2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid
CID 7017952
Aminothiazolylacetic acid
CID 20498196
2-Thiazolyl-DL-alanine
CID 21872914
2-(2-Thiazolyl)-alanine
CID 53768130
Thiazole acetic acid
CID 67461844
(2S)-2-amino-4-[2-(1,3-thiazol-2-yl)ethylsulfonimidoyl]butanoic acid
CID 170769940
3,3,3-Trifluoro-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 80314935
(2R)-2-(1,3-thiazol-2-ylamino)propanoic acid
CID 150872
2-(1,3-Thiazol-2-ylamino)propanoic acid
CID 339624
S-(thiazol-2-yl)-L-cysteine
CID 3449315

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;1,3-thiazole?
The IUPAC name of (2S)-2-aminopropanoic acid;1,3-thiazole (CID 22809796) is (2S)-2-aminopropanoic acid;1,3-thiazole.
What is the SMILES notation for (2S)-2-aminopropanoic acid;1,3-thiazole?
The canonical SMILES for (2S)-2-aminopropanoic acid;1,3-thiazole is C[C@H](N)C(=O)O.c1cscn1.
What is the InChIKey of (2S)-2-aminopropanoic acid;1,3-thiazole?
The InChIKey is ZFTNJJZYZWLTRP-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO2.C3H3NS/c1-2(4)3(5)6;1-2-5-3-4-1/h2H,4H2,1H3,(H,5,6);1-3H/t2-;/m0./s1.
What are the key properties of (2S)-2-aminopropanoic acid;1,3-thiazole?
(2S)-2-aminopropanoic acid;1,3-thiazole has a molecular weight of 174.23 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;1,3-thiazole is sourced from PubChem (CID 22809796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).