2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride

C8H15Cl2N3OS — CID 71756901

IUPAC2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)Nc1nccs1.Cl.Cl
InChIInChI=1S/C8H13N3OS.2ClH/c1-2-3-6(9)7(12)11-8-10-4-5-13-8;;/h4-6H,2-3,9H2,1H3,(H,10,11,12);2*1H
InChIKeyFAYRKKLFBBENCS-UHFFFAOYSA-N
MW272.20 g/mol
LogP2.05
Rot. Bonds4

About 2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride

2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride (PubChem CID 71756901) has the molecular formula C8H15Cl2N3OS and a molecular weight of 272.20 g/mol. Its IUPAC name is 2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride
PubChem CID71756901
Molecular FormulaC8H15Cl2N3OS
Molecular Weight272.20 g/mol
Exact Mass271.03
IUPAC Name2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)Nc1nccs1.Cl.Cl
InChIInChI=1S/C8H13N3OS.2ClH/c1-2-3-6(9)7(12)11-8-10-4-5-13-8;;/h4-6H,2-3,9H2,1H3,(H,10,11,12);2*1H
InChIKeyFAYRKKLFBBENCS-UHFFFAOYSA-N
XLogP2.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride (CID 71756901) is 2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride is CCCC(N)C(=O)Nc1nccs1.Cl.Cl.
What is the InChIKey of 2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride?
The InChIKey is FAYRKKLFBBENCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS.2ClH/c1-2-3-6(9)7(12)11-8-10-4-5-13-8;;/h4-6H,2-3,9H2,1H3,(H,10,11,12);2*1H.
What are the key properties of 2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride?
2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride has a molecular weight of 272.20 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-thiazol-2-yl)pentanamide;dihydrochloride is sourced from PubChem (CID 71756901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).