methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate

C10H14N2O2S — CID 22451396

IUPACmethyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate
SMILESCOC(=O)/C(=C\C(C)C)c1csc(N)n1
InChIInChI=1S/C10H14N2O2S/c1-6(2)4-7(9(13)14-3)8-5-15-10(11)12-8/h4-6H,1-3H3,(H2,11,12)/b7-4-
InChIKeyJRMQCCGTAYUAIE-DAXSKMNVSA-N
MW226.30 g/mol
LogP1.94
Rot. Bonds3

About methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate

methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate (PubChem CID 22451396) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate
PubChem CID22451396
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate
SMILESCOC(=O)/C(=C\C(C)C)c1csc(N)n1
InChIInChI=1S/C10H14N2O2S/c1-6(2)4-7(9(13)14-3)8-5-15-10(11)12-8/h4-6H,1-3H3,(H2,11,12)/b7-4-
InChIKeyJRMQCCGTAYUAIE-DAXSKMNVSA-N
XLogP1.94
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate?
The IUPAC name of methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate (CID 22451396) is methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate.
What is the SMILES notation for methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate?
The canonical SMILES for methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate is COC(=O)/C(=C\C(C)C)c1csc(N)n1.
What is the InChIKey of methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate?
The InChIKey is JRMQCCGTAYUAIE-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6(2)4-7(9(13)14-3)8-5-15-10(11)12-8/h4-6H,1-3H3,(H2,11,12)/b7-4-.
What are the key properties of methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate?
methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate has a molecular weight of 226.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate is sourced from PubChem (CID 22451396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).