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

C9H15N3O3S — CID 106381190

IUPAC2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCOCCC(N)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O3S/c1-15-3-2-7(10)8(13)11-4-6-5-16-9(14)12-6/h5,7H,2-4,10H2,1H3,(H,11,13)(H,12,14)
InChIKeyBOQCFUMGQIBJDU-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.58
Rot. Bonds6

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

2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 106381190) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID106381190
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCOCCC(N)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O3S/c1-15-3-2-7(10)8(13)11-4-6-5-16-9(14)12-6/h5,7H,2-4,10H2,1H3,(H,11,13)(H,12,14)
InChIKeyBOQCFUMGQIBJDU-UHFFFAOYSA-N
XLogP-0.58
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide 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 2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (CID 106381190) is 2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is COCCC(N)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is BOQCFUMGQIBJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-15-3-2-7(10)8(13)11-4-6-5-16-9(14)12-6/h5,7H,2-4,10H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 245.30 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 106381190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).