2-(1,3-thiazol-2-ylsulfanyl)butanamide

C7H10N2OS2 — CID 62900689

IUPAC2-(1,3-thiazol-2-ylsulfanyl)butanamide
SMILESCCC(Sc1nccs1)C(N)=O
InChIInChI=1S/C7H10N2OS2/c1-2-5(6(8)10)12-7-9-3-4-11-7/h3-5H,2H2,1H3,(H2,8,10)
InChIKeyRICVZKVBGVEZAS-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.50
Rot. Bonds4

About 2-(1,3-thiazol-2-ylsulfanyl)butanamide

2-(1,3-thiazol-2-ylsulfanyl)butanamide (PubChem CID 62900689) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylsulfanyl)butanamide.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylsulfanyl)butanamide
PubChem CID62900689
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC Name2-(1,3-thiazol-2-ylsulfanyl)butanamide
SMILESCCC(Sc1nccs1)C(N)=O
InChIInChI=1S/C7H10N2OS2/c1-2-5(6(8)10)12-7-9-3-4-11-7/h3-5H,2H2,1H3,(H2,8,10)
InChIKeyRICVZKVBGVEZAS-UHFFFAOYSA-N
XLogP1.50
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylsulfanyl)butanamide?
The IUPAC name of 2-(1,3-thiazol-2-ylsulfanyl)butanamide (CID 62900689) is 2-(1,3-thiazol-2-ylsulfanyl)butanamide.
What is the SMILES notation for 2-(1,3-thiazol-2-ylsulfanyl)butanamide?
The canonical SMILES for 2-(1,3-thiazol-2-ylsulfanyl)butanamide is CCC(Sc1nccs1)C(N)=O.
What is the InChIKey of 2-(1,3-thiazol-2-ylsulfanyl)butanamide?
The InChIKey is RICVZKVBGVEZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-2-5(6(8)10)12-7-9-3-4-11-7/h3-5H,2H2,1H3,(H2,8,10).
What are the key properties of 2-(1,3-thiazol-2-ylsulfanyl)butanamide?
2-(1,3-thiazol-2-ylsulfanyl)butanamide has a molecular weight of 202.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylsulfanyl)butanamide is sourced from PubChem (CID 62900689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).