3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate

C15H13NO3S — CID 166216786

IUPAC3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate
SMILESO=C(/C=C/c1cncs1)Oc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H13NO3S/c17-15(6-4-13-9-16-10-20-13)19-12-3-5-14-11(8-12)2-1-7-18-14/h3-6,8-10H,1-2,7H2/b6-4+
InChIKeyZUCLDDISEZUNBV-GQCTYLIASA-N
MW287.34 g/mol
LogP3.09
Rot. Bonds3

About 3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate

3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate (PubChem CID 166216786) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate
PubChem CID166216786
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate
SMILESO=C(/C=C/c1cncs1)Oc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H13NO3S/c17-15(6-4-13-9-16-10-20-13)19-12-3-5-14-11(8-12)2-1-7-18-14/h3-6,8-10H,1-2,7H2/b6-4+
InChIKeyZUCLDDISEZUNBV-GQCTYLIASA-N
XLogP3.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-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

3,4-dihydro-2H-chromen-6-yl 2,2-dimethylpropanoate
CID 130250466
3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate
CID 54141331
3,4-dihydro-2H-chromen-6-yl 2-(4-methylpiperazin-1-yl)benzoate
CID 167777126
3-(3,4-dihydro-2H-chromen-6-yloxy)-N,N-dimethylpropanamide
CID 141195389
CID 152806289
CID 152806289
2-(3,4-dihydro-2H-chromen-6-yloxy)-2-ethyldodecanoic acid
CID 70013134
3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one
CID 141195466
4-(3,4-dihydro-2H-chromen-6-yloxy)-1-pyrrol-1-ylbutan-1-one
CID 141195435
(E)-3-(3,4-dihydro-2H-chromen-6-yl)-1-(4-iodophenyl)prop-2-en-1-one
CID 6012425
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate (CID 166216786) is 3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate is O=C(/C=C/c1cncs1)Oc1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate?
The InChIKey is ZUCLDDISEZUNBV-GQCTYLIASA-N. The full InChI is InChI=1S/C15H13NO3S/c17-15(6-4-13-9-16-10-20-13)19-12-3-5-14-11(8-12)2-1-7-18-14/h3-6,8-10H,1-2,7H2/b6-4+.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate?
3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate has a molecular weight of 287.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl (E)-3-(1,3-thiazol-5-yl)prop-2-enoate is sourced from PubChem (CID 166216786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).