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

C8H13N3O2S — CID 81088021

IUPAC2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCOCC(N)C(=O)NCc1cscn1
InChIInChI=1S/C8H13N3O2S/c1-13-3-7(9)8(12)10-2-6-4-14-5-11-6/h4-5,7H,2-3,9H2,1H3,(H,10,12)
InChIKeyWKGBPUWTIOCSTD-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.27
Rot. Bonds5

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

2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 81088021) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID81088021
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCOCC(N)C(=O)NCc1cscn1
InChIInChI=1S/C8H13N3O2S/c1-13-3-7(9)8(12)10-2-6-4-14-5-11-6/h4-5,7H,2-3,9H2,1H3,(H,10,12)
InChIKeyWKGBPUWTIOCSTD-UHFFFAOYSA-N
XLogP-0.27
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 81088021) is 2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide is COCC(N)C(=O)NCc1cscn1.
What is the InChIKey of 2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is WKGBPUWTIOCSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-13-3-7(9)8(12)10-2-6-4-14-5-11-6/h4-5,7H,2-3,9H2,1H3,(H,10,12).
What are the key properties of 2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide?
2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 215.28 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 81088021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).