(2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid

C11H11N3O2S — CID 151833178

IUPAC(2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid
SMILESC[C@H](Nc1csc(-c2cccnc2)n1)C(=O)O
InChIInChI=1S/C11H11N3O2S/c1-7(11(15)16)13-9-6-17-10(14-9)8-3-2-4-12-5-8/h2-7,13H,1H3,(H,15,16)/t7-/m0/s1
InChIKeySFCHGJHTGYLXMO-ZETCQYMHSA-N
MW249.30 g/mol
LogP2.09
Rot. Bonds4

About (2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid

(2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid (PubChem CID 151833178) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is (2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid
PubChem CID151833178
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name(2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid
SMILESC[C@H](Nc1csc(-c2cccnc2)n1)C(=O)O
InChIInChI=1S/C11H11N3O2S/c1-7(11(15)16)13-9-6-17-10(14-9)8-3-2-4-12-5-8/h2-7,13H,1H3,(H,15,16)/t7-/m0/s1
InChIKeySFCHGJHTGYLXMO-ZETCQYMHSA-N
XLogP2.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid
CID 116971458
1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 18772022
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)butanoic acid
CID 116889238
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 18771890
1-(3-hydroxy-2-pyridinyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 18771602
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
3-methyl-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 82032648
(2S,3S)-3-methyl-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 92942450
3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid (CID 151833178) is (2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid is C[C@H](Nc1csc(-c2cccnc2)n1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid?
The InChIKey is SFCHGJHTGYLXMO-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7(11(15)16)13-9-6-17-10(14-9)8-3-2-4-12-5-8/h2-7,13H,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid?
(2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid has a molecular weight of 249.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid is sourced from PubChem (CID 151833178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).