(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide

C19H12F2N2O3S — CID 1001784

IUPAC(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C19H12F2N2O3S/c20-12-3-4-13(14(21)8-12)15-9-27-19(22-15)23-18(24)6-2-11-1-5-16-17(7-11)26-10-25-16/h1-9H,10H2,(H,22,23,24)/b6-2+
InChIKeyJIKRTXPPRWWOGY-QHHAFSJGSA-N
MW386.38 g/mol
LogP4.47
Rot. Bonds4

About (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide

(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 1001784) has the molecular formula C19H12F2N2O3S and a molecular weight of 386.38 g/mol. Its IUPAC name is (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID1001784
Molecular FormulaC19H12F2N2O3S
Molecular Weight386.38 g/mol
Exact Mass386.05
IUPAC Name(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C19H12F2N2O3S/c20-12-3-4-13(14(21)8-12)15-9-27-19(22-15)23-18(24)6-2-11-1-5-16-17(7-11)26-10-25-16/h1-9H,10H2,(H,22,23,24)/b6-2+
InChIKeyJIKRTXPPRWWOGY-QHHAFSJGSA-N
XLogP4.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 1001784) is (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc(-c2ccc(F)cc2F)cs1.
What is the InChIKey of (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is JIKRTXPPRWWOGY-QHHAFSJGSA-N. The full InChI is InChI=1S/C19H12F2N2O3S/c20-12-3-4-13(14(21)8-12)15-9-27-19(22-15)23-18(24)6-2-11-1-5-16-17(7-11)26-10-25-16/h1-9H,10H2,(H,22,23,24)/b6-2+.
What are the key properties of (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide?
(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 386.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 1001784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).