(E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol

C14H23NO4S — CID 11514961

IUPAC(E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
SMILESCOCCOCO[C@@H](CCO)/C(C)=C/c1csc(C)n1
InChIInChI=1S/C14H23NO4S/c1-11(8-13-9-20-12(2)15-13)14(4-5-16)19-10-18-7-6-17-3/h8-9,14,16H,4-7,10H2,1-3H3/b11-8+/t14-/m0/s1
InChIKeyVQIKCXFDXKSFFQ-ZHZWZMEUSA-N
MW301.41 g/mol
LogP2.24
Rot. Bonds10

About (E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol

(E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol (PubChem CID 11514961) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is (E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name(E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
PubChem CID11514961
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name(E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
SMILESCOCCOCO[C@@H](CCO)/C(C)=C/c1csc(C)n1
InChIInChI=1S/C14H23NO4S/c1-11(8-13-9-20-12(2)15-13)14(4-5-16)19-10-18-7-6-17-3/h8-9,14,16H,4-7,10H2,1-3H3/b11-8+/t14-/m0/s1
InChIKeyVQIKCXFDXKSFFQ-ZHZWZMEUSA-N
XLogP2.24
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 6167478
4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole
CID 91359235
(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 68953491
4-[(1E)-3-methoxy-2-methylhepta-1,5-dienyl]-2-methyl-1,3-thiazole;molecular iodine;yttrium
CID 160666379
[3-[(E)-2-methoxy-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-enyl]-2-methyloxiran-2-yl]methanol
CID 18739761
(E,3S)-3-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid
CID 11831158
[(1E,3S,5Z)-2,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)octa-1,5,7-trien-3-yl] acetate
CID 11266290
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,6-dien-1-ol
CID 57270333
(2Z,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,6-dien-1-ol
CID 6025407
(3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+)
CID 173271111
triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane
CID 90972349
3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-en-2-one
CID 71356711

Frequently Asked Questions

What is the IUPAC name of (E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
The IUPAC name of (E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol (CID 11514961) is (E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol.
What is the SMILES notation for (E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
The canonical SMILES for (E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol is COCCOCO[C@@H](CCO)/C(C)=C/c1csc(C)n1.
What is the InChIKey of (E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
The InChIKey is VQIKCXFDXKSFFQ-ZHZWZMEUSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-11(8-13-9-20-12(2)15-13)14(4-5-16)19-10-18-7-6-17-3/h8-9,14,16H,4-7,10H2,1-3H3/b11-8+/t14-/m0/s1.
What are the key properties of (E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
(E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol has a molecular weight of 301.41 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol is sourced from PubChem (CID 11514961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).