(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride

C8H12ClN3O2S — CID 119031486

IUPAC(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride
SMILESCC(=O)c1csc(NC(=O)[C@@H](C)N)n1.Cl
InChIInChI=1S/C8H11N3O2S.ClH/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12;/h3-4H,9H2,1-2H3,(H,10,11,13);1H/t4-;/m1./s1
InChIKeyPNHBRMKLVIXIBV-PGMHMLKASA-N
MW249.72 g/mol
LogP1.05
Rot. Bonds3

About (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride

(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride (PubChem CID 119031486) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride
PubChem CID119031486
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride
SMILESCC(=O)c1csc(NC(=O)[C@@H](C)N)n1.Cl
InChIInChI=1S/C8H11N3O2S.ClH/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12;/h3-4H,9H2,1-2H3,(H,10,11,13);1H/t4-;/m1./s1
InChIKeyPNHBRMKLVIXIBV-PGMHMLKASA-N
XLogP1.05
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride?
The IUPAC name of (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride (CID 119031486) is (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride.
What is the SMILES notation for (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride?
The canonical SMILES for (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride is CC(=O)c1csc(NC(=O)[C@@H](C)N)n1.Cl.
What is the InChIKey of (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride?
The InChIKey is PNHBRMKLVIXIBV-PGMHMLKASA-N. The full InChI is InChI=1S/C8H11N3O2S.ClH/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12;/h3-4H,9H2,1-2H3,(H,10,11,13);1H/t4-;/m1./s1.
What are the key properties of (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride?
(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride has a molecular weight of 249.72 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide;hydrochloride is sourced from PubChem (CID 119031486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).