[4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate

C17H19NO2S — CID 54450667

IUPAC[4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate
SMILESCCC=CC(=O)Oc1ccc(-c2ncc(CCC)s2)cc1
InChIInChI=1S/C17H19NO2S/c1-3-5-7-16(19)20-14-10-8-13(9-11-14)17-18-12-15(21-17)6-4-2/h5,7-12H,3-4,6H2,1-2H3
InChIKeyWUSYXZIHGRSNII-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.63
Rot. Bonds6

About [4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate

[4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate (PubChem CID 54450667) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is [4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate.

Molecular Properties

Compound Name[4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate
PubChem CID54450667
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name[4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate
SMILESCCC=CC(=O)Oc1ccc(-c2ncc(CCC)s2)cc1
InChIInChI=1S/C17H19NO2S/c1-3-5-7-16(19)20-14-10-8-13(9-11-14)17-18-12-15(21-17)6-4-2/h5,7-12H,3-4,6H2,1-2H3
InChIKeyWUSYXZIHGRSNII-UHFFFAOYSA-N
XLogP4.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate 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

[4-(5-butyl-1,3-thiazol-2-yl)phenyl] (E)-hex-2-enoate
CID 23432344
[4-(5-octyl-1,3-thiazol-2-yl)phenyl] (E)-hex-2-enoate
CID 23432060
2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole
CID 23432042
[4-[4-(5-octyl-1,3-thiazol-2-yl)phenyl]phenyl] but-2-enoate
CID 54565236
[4-[2-[4-[(E)-oct-2-enoyl]oxyphenyl]-1,3-thiazol-5-yl]phenyl] (E)-oct-2-enoate
CID 23432034
2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole
CID 23432183
[4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] hex-2-enoate
CID 54564112
2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 116852062
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 25247878
[4-[5-[4-[(E)-oct-2-enoyl]oxyphenyl]thiophen-2-yl]phenyl] (E)-oct-2-enoate
CID 23432211
[4-[4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate
CID 23432310

Frequently Asked Questions

What is the IUPAC name of [4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate?
The IUPAC name of [4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate (CID 54450667) is [4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate.
What is the SMILES notation for [4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate?
The canonical SMILES for [4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate is CCC=CC(=O)Oc1ccc(-c2ncc(CCC)s2)cc1.
What is the InChIKey of [4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate?
The InChIKey is WUSYXZIHGRSNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-5-7-16(19)20-14-10-8-13(9-11-14)17-18-12-15(21-17)6-4-2/h5,7-12H,3-4,6H2,1-2H3.
What are the key properties of [4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate?
[4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate has a molecular weight of 301.41 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate is sourced from PubChem (CID 54450667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).