2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide

C10H17N3OS2 — CID 63034358

IUPAC2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide
SMILESCC(C)NC(CCSc1nccs1)C(N)=O
InChIInChI=1S/C10H17N3OS2/c1-7(2)13-8(9(11)14)3-5-15-10-12-4-6-16-10/h4,6-8,13H,3,5H2,1-2H3,(H2,11,14)
InChIKeyVXMAWQKYQPZKKT-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.48
Rot. Bonds7

About 2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide

2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide (PubChem CID 63034358) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide
PubChem CID63034358
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide
SMILESCC(C)NC(CCSc1nccs1)C(N)=O
InChIInChI=1S/C10H17N3OS2/c1-7(2)13-8(9(11)14)3-5-15-10-12-4-6-16-10/h4,6-8,13H,3,5H2,1-2H3,(H2,11,14)
InChIKeyVXMAWQKYQPZKKT-UHFFFAOYSA-N
XLogP1.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide?
The IUPAC name of 2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide (CID 63034358) is 2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide.
What is the SMILES notation for 2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide?
The canonical SMILES for 2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide is CC(C)NC(CCSc1nccs1)C(N)=O.
What is the InChIKey of 2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide?
The InChIKey is VXMAWQKYQPZKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-7(2)13-8(9(11)14)3-5-15-10-12-4-6-16-10/h4,6-8,13H,3,5H2,1-2H3,(H2,11,14).
What are the key properties of 2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide?
2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide has a molecular weight of 259.40 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide is sourced from PubChem (CID 63034358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).