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

C10H17N3O2S — CID 62477312

IUPAC2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)N(C)Cc1cscn1
InChIInChI=1S/C10H17N3O2S/c1-13(5-8-6-16-7-12-8)10(14)9(11)3-4-15-2/h6-7,9H,3-5,11H2,1-2H3
InChIKeyIKUFUYZRNBFOBQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.47
Rot. Bonds6

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

2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide (PubChem CID 62477312) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
PubChem CID62477312
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)N(C)Cc1cscn1
InChIInChI=1S/C10H17N3O2S/c1-13(5-8-6-16-7-12-8)10(14)9(11)3-4-15-2/h6-7,9H,3-5,11H2,1-2H3
InChIKeyIKUFUYZRNBFOBQ-UHFFFAOYSA-N
XLogP0.47
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide (CID 62477312) is 2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide is COCCC(N)C(=O)N(C)Cc1cscn1.
What is the InChIKey of 2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide?
The InChIKey is IKUFUYZRNBFOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-13(5-8-6-16-7-12-8)10(14)9(11)3-4-15-2/h6-7,9H,3-5,11H2,1-2H3.
What are the key properties of 2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide?
2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide has a molecular weight of 243.33 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide is sourced from PubChem (CID 62477312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).