2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide

C11H16N4OS — CID 67644383

IUPAC2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide
SMILESCCC=C(C(N)=O)c1csc(N=CN(C)C)n1
InChIInChI=1S/C11H16N4OS/c1-4-5-8(10(12)16)9-6-17-11(14-9)13-7-15(2)3/h5-7H,4H2,1-3H3,(H2,12,16)
InChIKeyUHUJYQODDBNLML-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.64
Rot. Bonds5

About 2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide

2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide (PubChem CID 67644383) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide.

Molecular Properties

Compound Name2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide
PubChem CID67644383
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide
SMILESCCC=C(C(N)=O)c1csc(N=CN(C)C)n1
InChIInChI=1S/C11H16N4OS/c1-4-5-8(10(12)16)9-6-17-11(14-9)13-7-15(2)3/h5-7H,4H2,1-3H3,(H2,12,16)
InChIKeyUHUJYQODDBNLML-UHFFFAOYSA-N
XLogP1.64
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide?
The IUPAC name of 2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide (CID 67644383) is 2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide.
What is the SMILES notation for 2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide?
The canonical SMILES for 2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide is CCC=C(C(N)=O)c1csc(N=CN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide?
The InChIKey is UHUJYQODDBNLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-4-5-8(10(12)16)9-6-17-11(14-9)13-7-15(2)3/h5-7H,4H2,1-3H3,(H2,12,16).
What are the key properties of 2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide?
2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide has a molecular weight of 252.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]pent-2-enamide is sourced from PubChem (CID 67644383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).