(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride

C9H14ClN3O2S — CID 119329727

IUPAC(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ncc(C(C)=O)s1.Cl
InChIInChI=1S/C9H13N3O2S.ClH/c1-3-6(10)8(14)12-9-11-4-7(15-9)5(2)13;/h4,6H,3,10H2,1-2H3,(H,11,12,14);1H/t6-;/m0./s1
InChIKeyZKWGVUCWXUMTCL-RGMNGODLSA-N
MW263.75 g/mol
LogP1.44
Rot. Bonds4

About (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride

(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride (PubChem CID 119329727) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride
PubChem CID119329727
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ncc(C(C)=O)s1.Cl
InChIInChI=1S/C9H13N3O2S.ClH/c1-3-6(10)8(14)12-9-11-4-7(15-9)5(2)13;/h4,6H,3,10H2,1-2H3,(H,11,12,14);1H/t6-;/m0./s1
InChIKeyZKWGVUCWXUMTCL-RGMNGODLSA-N
XLogP1.44
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride?
The IUPAC name of (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride (CID 119329727) is (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride.
What is the SMILES notation for (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride?
The canonical SMILES for (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride is CC[C@H](N)C(=O)Nc1ncc(C(C)=O)s1.Cl.
What is the InChIKey of (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride?
The InChIKey is ZKWGVUCWXUMTCL-RGMNGODLSA-N. The full InChI is InChI=1S/C9H13N3O2S.ClH/c1-3-6(10)8(14)12-9-11-4-7(15-9)5(2)13;/h4,6H,3,10H2,1-2H3,(H,11,12,14);1H/t6-;/m0./s1.
What are the key properties of (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride?
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride has a molecular weight of 263.75 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride is sourced from PubChem (CID 119329727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).