(E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid

C11H15NO3S — CID 11746779

IUPAC(E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid
SMILESCOC(CC(=O)O)/C(C)=C/c1csc(C)n1
InChIInChI=1S/C11H15NO3S/c1-7(10(15-3)5-11(13)14)4-9-6-16-8(2)12-9/h4,6,10H,5H2,1-3H3,(H,13,14)/b7-4+
InChIKeyMTNLUIZVDKCAMF-QPJJXVBHSA-N
MW241.31 g/mol
LogP2.34
Rot. Bonds5

About (E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid

(E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid (PubChem CID 11746779) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid.

Molecular Properties

Compound Name(E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid
PubChem CID11746779
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid
SMILESCOC(CC(=O)O)/C(C)=C/c1csc(C)n1
InChIInChI=1S/C11H15NO3S/c1-7(10(15-3)5-11(13)14)4-9-6-16-8(2)12-9/h4,6,10H,5H2,1-3H3,(H,13,14)/b7-4+
InChIKeyMTNLUIZVDKCAMF-QPJJXVBHSA-N
XLogP2.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid?
The IUPAC name of (E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid (CID 11746779) is (E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid.
What is the SMILES notation for (E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid?
The canonical SMILES for (E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid is COC(CC(=O)O)/C(C)=C/c1csc(C)n1.
What is the InChIKey of (E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid?
The InChIKey is MTNLUIZVDKCAMF-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7(10(15-3)5-11(13)14)4-9-6-16-8(2)12-9/h4,6,10H,5H2,1-3H3,(H,13,14)/b7-4+.
What are the key properties of (E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid?
(E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid has a molecular weight of 241.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid is sourced from PubChem (CID 11746779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).