2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide

C11H17N3OS — CID 141425354

IUPAC2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide
SMILESCCCC(=CNC(C)c1nccs1)C(N)=O
InChIInChI=1S/C11H17N3OS/c1-3-4-9(10(12)15)7-14-8(2)11-13-5-6-16-11/h5-8,14H,3-4H2,1-2H3,(H2,12,15)
InChIKeyLWCOPCMCTPVZOU-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.96
Rot. Bonds6

About 2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide

2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide (PubChem CID 141425354) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide.

Molecular Properties

Compound Name2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide
PubChem CID141425354
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide
SMILESCCCC(=CNC(C)c1nccs1)C(N)=O
InChIInChI=1S/C11H17N3OS/c1-3-4-9(10(12)15)7-14-8(2)11-13-5-6-16-11/h5-8,14H,3-4H2,1-2H3,(H2,12,15)
InChIKeyLWCOPCMCTPVZOU-UHFFFAOYSA-N
XLogP1.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide?
The IUPAC name of 2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide (CID 141425354) is 2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide.
What is the SMILES notation for 2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide?
The canonical SMILES for 2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide is CCCC(=CNC(C)c1nccs1)C(N)=O.
What is the InChIKey of 2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide?
The InChIKey is LWCOPCMCTPVZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-4-9(10(12)15)7-14-8(2)11-13-5-6-16-11/h5-8,14H,3-4H2,1-2H3,(H2,12,15).
What are the key properties of 2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide?
2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide has a molecular weight of 239.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,3-thiazol-2-yl)ethylamino]methylidene]pentanamide is sourced from PubChem (CID 141425354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).