2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide

C9H15N3OS — CID 71868956

IUPAC2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCC(C)(NCC(N)=O)c1nccs1
InChIInChI=1S/C9H15N3OS/c1-3-9(2,12-6-7(10)13)8-11-4-5-14-8/h4-5,12H,3,6H2,1-2H3,(H2,10,13)
InChIKeyAHDAULMZFXVVBY-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.84
Rot. Bonds5

About 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide

2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide (PubChem CID 71868956) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
PubChem CID71868956
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCC(C)(NCC(N)=O)c1nccs1
InChIInChI=1S/C9H15N3OS/c1-3-9(2,12-6-7(10)13)8-11-4-5-14-8/h4-5,12H,3,6H2,1-2H3,(H2,10,13)
InChIKeyAHDAULMZFXVVBY-UHFFFAOYSA-N
XLogP0.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The IUPAC name of 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide (CID 71868956) is 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The canonical SMILES for 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide is CCC(C)(NCC(N)=O)c1nccs1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The InChIKey is AHDAULMZFXVVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-9(2,12-6-7(10)13)8-11-4-5-14-8/h4-5,12H,3,6H2,1-2H3,(H2,10,13).
What are the key properties of 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide has a molecular weight of 213.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide is sourced from PubChem (CID 71868956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).