N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide

C7H10N2O2S — CID 45119296

IUPACN-(5-oxo-4H-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)NC1=NCC(=O)S1
InChIInChI=1S/C7H10N2O2S/c1-2-3-5(10)9-7-8-4-6(11)12-7/h2-4H2,1H3,(H,8,9,10)
InChIKeyNBZFAWQULDFMDU-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.53
Rot. Bonds2

About N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide

N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide (PubChem CID 45119296) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-oxo-4H-1,3-thiazol-2-yl)butanamide
PubChem CID45119296
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC NameN-(5-oxo-4H-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)NC1=NCC(=O)S1
InChIInChI=1S/C7H10N2O2S/c1-2-3-5(10)9-7-8-4-6(11)12-7/h2-4H2,1H3,(H,8,9,10)
InChIKeyNBZFAWQULDFMDU-UHFFFAOYSA-N
XLogP0.53
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide (CID 45119296) is N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide is CCCC(=O)NC1=NCC(=O)S1.
What is the InChIKey of N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide?
The InChIKey is NBZFAWQULDFMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-3-5(10)9-7-8-4-6(11)12-7/h2-4H2,1H3,(H,8,9,10).
What are the key properties of N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide?
N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide has a molecular weight of 186.24 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 45119296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).