4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride

C11H21Cl2N3OS — CID 119892442

IUPAC4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
SMILESCCC(C)(NC(=O)CCCN)c1nccs1.Cl.Cl
InChIInChI=1S/C11H19N3OS.2ClH/c1-3-11(2,10-13-7-8-16-10)14-9(15)5-4-6-12;;/h7-8H,3-6,12H2,1-2H3,(H,14,15);2*1H
InChIKeyMABXQFNCXAUNRE-UHFFFAOYSA-N
MW314.28 g/mol
LogP2.47
Rot. Bonds6

About 4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride

4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride (PubChem CID 119892442) has the molecular formula C11H21Cl2N3OS and a molecular weight of 314.28 g/mol. Its IUPAC name is 4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
PubChem CID119892442
Molecular FormulaC11H21Cl2N3OS
Molecular Weight314.28 g/mol
Exact Mass313.08
IUPAC Name4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
SMILESCCC(C)(NC(=O)CCCN)c1nccs1.Cl.Cl
InChIInChI=1S/C11H19N3OS.2ClH/c1-3-11(2,10-13-7-8-16-10)14-9(15)5-4-6-12;;/h7-8H,3-6,12H2,1-2H3,(H,14,15);2*1H
InChIKeyMABXQFNCXAUNRE-UHFFFAOYSA-N
XLogP2.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride (CID 119892442) is 4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride is CCC(C)(NC(=O)CCCN)c1nccs1.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride?
The InChIKey is MABXQFNCXAUNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS.2ClH/c1-3-11(2,10-13-7-8-16-10)14-9(15)5-4-6-12;;/h7-8H,3-6,12H2,1-2H3,(H,14,15);2*1H.
What are the key properties of 4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride?
4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride has a molecular weight of 314.28 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride is sourced from PubChem (CID 119892442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).