2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide

C9H15N3O2S — CID 62476445

IUPAC2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)NCc1nccs1
InChIInChI=1S/C9H15N3O2S/c1-14-4-2-7(10)9(13)12-6-8-11-3-5-15-8/h3,5,7H,2,4,6,10H2,1H3,(H,12,13)
InChIKeyGBNCRUBNQPKYLX-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.12
Rot. Bonds6

About 2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide

2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide (PubChem CID 62476445) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide
PubChem CID62476445
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)NCc1nccs1
InChIInChI=1S/C9H15N3O2S/c1-14-4-2-7(10)9(13)12-6-8-11-3-5-15-8/h3,5,7H,2,4,6,10H2,1H3,(H,12,13)
InChIKeyGBNCRUBNQPKYLX-UHFFFAOYSA-N
XLogP0.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide (CID 62476445) is 2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide is COCCC(N)C(=O)NCc1nccs1.
What is the InChIKey of 2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide?
The InChIKey is GBNCRUBNQPKYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-14-4-2-7(10)9(13)12-6-8-11-3-5-15-8/h3,5,7H,2,4,6,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide?
2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide has a molecular weight of 229.30 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 62476445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).