3-anilino-3-(1,3-thiazol-2-yl)butanamide

C13H15N3OS — CID 170171365

IUPAC3-anilino-3-(1,3-thiazol-2-yl)butanamide
SMILESCC(CC(N)=O)(Nc1ccccc1)c1nccs1
InChIInChI=1S/C13H15N3OS/c1-13(9-11(14)17,12-15-7-8-18-12)16-10-5-3-2-4-6-10/h2-8,16H,9H2,1H3,(H2,14,17)
InChIKeyBKZSDDVVTXMJKO-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.35
Rot. Bonds5

About 3-anilino-3-(1,3-thiazol-2-yl)butanamide

3-anilino-3-(1,3-thiazol-2-yl)butanamide (PubChem CID 170171365) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-anilino-3-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name3-anilino-3-(1,3-thiazol-2-yl)butanamide
PubChem CID170171365
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-anilino-3-(1,3-thiazol-2-yl)butanamide
SMILESCC(CC(N)=O)(Nc1ccccc1)c1nccs1
InChIInChI=1S/C13H15N3OS/c1-13(9-11(14)17,12-15-7-8-18-12)16-10-5-3-2-4-6-10/h2-8,16H,9H2,1H3,(H2,14,17)
InChIKeyBKZSDDVVTXMJKO-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-3-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 3-anilino-3-(1,3-thiazol-2-yl)butanamide (CID 170171365) is 3-anilino-3-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 3-anilino-3-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 3-anilino-3-(1,3-thiazol-2-yl)butanamide is CC(CC(N)=O)(Nc1ccccc1)c1nccs1.
What is the InChIKey of 3-anilino-3-(1,3-thiazol-2-yl)butanamide?
The InChIKey is BKZSDDVVTXMJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-13(9-11(14)17,12-15-7-8-18-12)16-10-5-3-2-4-6-10/h2-8,16H,9H2,1H3,(H2,14,17).
What are the key properties of 3-anilino-3-(1,3-thiazol-2-yl)butanamide?
3-anilino-3-(1,3-thiazol-2-yl)butanamide has a molecular weight of 261.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-3-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 170171365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).