(2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid

C7H11N3O2S — CID 54386579

IUPAC(2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid
SMILESNc1nc(CC[C@H](N)C(=O)O)cs1
InChIInChI=1S/C7H11N3O2S/c8-5(6(11)12)2-1-4-3-13-7(9)10-4/h3,5H,1-2,8H2,(H2,9,10)(H,11,12)/t5-/m0/s1
InChIKeyVDQRMWWEGCHYBW-YFKPBYRVSA-N
MW201.25 g/mol
LogP0.07
Rot. Bonds4

About (2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid

(2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid (PubChem CID 54386579) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is (2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid
PubChem CID54386579
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name(2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid
SMILESNc1nc(CC[C@H](N)C(=O)O)cs1
InChIInChI=1S/C7H11N3O2S/c8-5(6(11)12)2-1-4-3-13-7(9)10-4/h3,5H,1-2,8H2,(H2,9,10)(H,11,12)/t5-/m0/s1
InChIKeyVDQRMWWEGCHYBW-YFKPBYRVSA-N
XLogP0.07
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid (CID 54386579) is (2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid is Nc1nc(CC[C@H](N)C(=O)O)cs1.
What is the InChIKey of (2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid?
The InChIKey is VDQRMWWEGCHYBW-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11N3O2S/c8-5(6(11)12)2-1-4-3-13-7(9)10-4/h3,5H,1-2,8H2,(H2,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid?
(2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid has a molecular weight of 201.25 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(2-amino-1,3-thiazol-4-yl)butanoic acid is sourced from PubChem (CID 54386579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).