tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate

C15H24N2O2S — CID 59016357

IUPACtert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate
SMILESCc1cnc(/C=N/C(CC(C)C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H24N2O2S/c1-10(2)7-12(14(18)19-15(4,5)6)16-9-13-17-8-11(3)20-13/h8-10,12H,7H2,1-6H3/b16-9+
InChIKeyFYVDCQMJKKXGQC-CXUHLZMHSA-N
MW296.44 g/mol
LogP3.63
Rot. Bonds5

About tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate

tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate (PubChem CID 59016357) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate.

Molecular Properties

Compound Nametert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate
PubChem CID59016357
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nametert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate
SMILESCc1cnc(/C=N/C(CC(C)C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H24N2O2S/c1-10(2)7-12(14(18)19-15(4,5)6)16-9-13-17-8-11(3)20-13/h8-10,12H,7H2,1-6H3/b16-9+
InChIKeyFYVDCQMJKKXGQC-CXUHLZMHSA-N
XLogP3.63
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate?
The IUPAC name of tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate (CID 59016357) is tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate.
What is the SMILES notation for tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate?
The canonical SMILES for tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate is Cc1cnc(/C=N/C(CC(C)C)C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate?
The InChIKey is FYVDCQMJKKXGQC-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10(2)7-12(14(18)19-15(4,5)6)16-9-13-17-8-11(3)20-13/h8-10,12H,7H2,1-6H3/b16-9+.
What are the key properties of tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate?
tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate has a molecular weight of 296.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate is sourced from PubChem (CID 59016357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).