(E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide

C19H15N5O3S — CID 108729182

IUPAC(E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide
SMILESCC(=O)Nc1ccc(-c2csc3nc(NC(=O)/C=C/c4ccco4)nn23)cc1
InChIInChI=1S/C19H15N5O3S/c1-12(25)20-14-6-4-13(5-7-14)16-11-28-19-22-18(23-24(16)19)21-17(26)9-8-15-3-2-10-27-15/h2-11H,1H3,(H,20,25)(H,21,23,26)/b9-8+
InChIKeyGBDRPAJFLPUXKW-CMDGGOBGSA-N
MW393.43 g/mol
LogP3.66
Rot. Bonds5

About (E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 108729182) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is (E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide
PubChem CID108729182
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC Name(E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide
SMILESCC(=O)Nc1ccc(-c2csc3nc(NC(=O)/C=C/c4ccco4)nn23)cc1
InChIInChI=1S/C19H15N5O3S/c1-12(25)20-14-6-4-13(5-7-14)16-11-28-19-22-18(23-24(16)19)21-17(26)9-8-15-3-2-10-27-15/h2-11H,1H3,(H,20,25)(H,21,23,26)/b9-8+
InChIKeyGBDRPAJFLPUXKW-CMDGGOBGSA-N
XLogP3.66
TPSA101.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]hexa-2,4-dienamide
CID 108729170
(E)-N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 108752388
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide
CID 108729163
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide
CID 108752967
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxyacetamide
CID 108729264
(E)-3-(3,4-dichlorophenyl)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]prop-2-enamide
CID 108752256
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-bromofuran-2-carboxamide
CID 108752976
(E)-3-(3-chlorophenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]prop-2-enamide
CID 108752868
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728483
(E)-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 108751970
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 108729261
3-acetamido-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752032

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide (CID 108729182) is (E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide is CC(=O)Nc1ccc(-c2csc3nc(NC(=O)/C=C/c4ccco4)nn23)cc1.
What is the InChIKey of (E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is GBDRPAJFLPUXKW-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-12(25)20-14-6-4-13(5-7-14)16-11-28-19-22-18(23-24(16)19)21-17(26)9-8-15-3-2-10-27-15/h2-11H,1H3,(H,20,25)(H,21,23,26)/b9-8+.
What are the key properties of (E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 393.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 108729182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).