(2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide

C9H15N3O2S — CID 103950581

IUPAC(2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-5(2)7(10)8(13)11-3-6-4-15-9(14)12-6/h4-5,7H,3,10H2,1-2H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKeyLANUXOWLGJBCTM-ZETCQYMHSA-N
MW229.30 g/mol
LogP0.04
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide

(2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 103950581) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID103950581
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name(2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-5(2)7(10)8(13)11-3-6-4-15-9(14)12-6/h4-5,7H,3,10H2,1-2H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKeyLANUXOWLGJBCTM-ZETCQYMHSA-N
XLogP0.04
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (CID 103950581) is (2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is CC(C)[C@H](N)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is LANUXOWLGJBCTM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5(2)7(10)8(13)11-3-6-4-15-9(14)12-6/h4-5,7H,3,10H2,1-2H3,(H,11,13)(H,12,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
(2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 229.30 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 103950581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).