(2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide

C6H9N3OS — CID 57276401

IUPAC(2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1cncs1
InChIInChI=1S/C6H9N3OS/c1-4(7)6(10)9-5-2-8-3-11-5/h2-4H,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyHJXHZJWCUFNYHO-BYPYZUCNSA-N
MW171.23 g/mol
LogP0.43
Rot. Bonds2

About (2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide

(2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide (PubChem CID 57276401) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide
PubChem CID57276401
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name(2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1cncs1
InChIInChI=1S/C6H9N3OS/c1-4(7)6(10)9-5-2-8-3-11-5/h2-4H,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyHJXHZJWCUFNYHO-BYPYZUCNSA-N
XLogP0.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide (CID 57276401) is (2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide is C[C@H](N)C(=O)Nc1cncs1.
What is the InChIKey of (2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide?
The InChIKey is HJXHZJWCUFNYHO-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4(7)6(10)9-5-2-8-3-11-5/h2-4H,7H2,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide?
(2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide has a molecular weight of 171.23 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 57276401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).