ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate

C10H15N3O2S — CID 134892535

IUPACethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(/N=C/N(C)C)n1
InChIInChI=1S/C10H15N3O2S/c1-4-15-9(14)5-8-6-16-10(12-8)11-7-13(2)3/h6-7H,4-5H2,1-3H3/b11-7+
InChIKeyPMPKTVKHDFTLDV-YRNVUSSQSA-N
MW241.32 g/mol
LogP1.47
Rot. Bonds5

About ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate (PubChem CID 134892535) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate
PubChem CID134892535
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Nameethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(/N=C/N(C)C)n1
InChIInChI=1S/C10H15N3O2S/c1-4-15-9(14)5-8-6-16-10(12-8)11-7-13(2)3/h6-7H,4-5H2,1-3H3/b11-7+
InChIKeyPMPKTVKHDFTLDV-YRNVUSSQSA-N
XLogP1.47
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate (CID 134892535) is ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(/N=C/N(C)C)n1.
What is the InChIKey of ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is PMPKTVKHDFTLDV-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-4-15-9(14)5-8-6-16-10(12-8)11-7-13(2)3/h6-7H,4-5H2,1-3H3/b11-7+.
What are the key properties of ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 241.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(E)-dimethylaminomethylideneamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 134892535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).